Nitric oxide synthase
Bos taurus
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 39–482 Chain B； UniProt 39–482 | Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 3 GOL GLYCEROL × 2 CAD CACODYLIC ACID × 2 XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K | Resolution 3.06 Å R-free 0.332 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 3N6C | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1B8Q SOLUTION STRUCTURE OF THE EXTENDED NEURONAL NITRIC OXIDE SYNTHASE PDZ DOMAIN COMPLEXED WITH AN ASSOCIATED PEPTIDE Deposited 1999-02-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
7–133（127 aa）
Fragment：PDZ DOMAIN
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6；308 K
|
Resolution not provided |
| 1F20 CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE FAD/NADP+ DOMAIN AT 1.9A RESOLUTION. Deposited 2000-05-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
963–1397（435 aa）
|
Not recorded | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 GOL GLYCEROL × 5 FMT FORMIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；EVAPORATION
|
Resolution 1.90 Å R-free 0.206 |
| 1K2R Structure of rat brain nNOS heme domain complexed with NG-nitro-L-arginine Deposited 2001-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme-containing oxygenase domain
Chain B
299–717（419 aa）
Fragment：heme-containing oxygenase domain
|
Not recorded | ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NRG N-OMEGA-NITRO-L-ARGININE × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.15 Å R-free 0.270 |
| 1K2S Structure of rat brain nNOS heme domain complexed with NG-allyl-L-arginine Deposited 2001-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme-containing oxygenase domain
Chain B
299–717（419 aa）
Fragment：heme-containing oxygenase domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARV 5-N-ALLYL-ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.55 Å R-free 0.286 |
| 1K2T Structure of rat brain nNOS heme domain complexed with S-ethyl-N-phenyl-isothiourea Deposited 2001-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme-containing oxygenase domain
Chain B
299–717（419 aa）
Fragment：heme-containing oxygenase domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 PTU 2-ETHYL-1-PHENYL-ISOTHIOUREA × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.20 Å R-free 0.265 |
| 1K2U Structure of rat brain nNOS heme domain complexed with S-ethyl-N-[4-(trifluoromethyl)phenyl] isothiourea Deposited 2001-09-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme-containing oxygenase domain
Chain B
299–717（419 aa）
Fragment：heme-containing oxygenase domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 TFM S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.20 Å R-free 0.261 |
| 1LZX Rat neuronal NOS heme domain with NG-hydroxy-L-arginine bound Deposited 2002-06-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme domain
Chain B
299–717（419 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.256 |
| 1LZZ Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound Deposited 2002-06-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme domain
Chain B
299–717（419 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 IHG N-ISOPROPYL-N'-HYDROXYGUANIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.05 Å R-free 0.266 |
| 1M00 Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound Deposited 2002-06-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme domain
Chain B
299–717（419 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BHH N-BUTYL-N'-HYDROXYGUANIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.05 Å R-free 0.270 |
| 1MMV Rat neuronal NOS heme domain with NG-propyl-L-arginine bound Deposited 2002-09-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme domain
Chain B
299–717（419 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.00 Å R-free 0.256 |
| 1MMW Rat neuronal NOS heme domain with vinyl-L-NIO bound Deposited 2002-09-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–717（419 aa）
Fragment：heme domain
Chain B
299–717（419 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 VIO N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG 4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.00 Å R-free 0.266 |
| 1OM4 STRUCTURE OF RAT NEURONAL NOS HEME DOMAIN WITH L-ARGININE BOUND Deposited 2003-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Subunits (A and B), residues (299-718)
Chain B
297–718（422 aa）
Fragment：Subunits (A and B), residues (299-718)
|
Not recorded | ZN ZINC ION × 1 ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 2 ARG ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.75 Å R-free 0.245 |
| 1OM5 STRUCTURE OF RAT NEURONAL NOS HEME DOMAIN WITH 3-BROMO-7-NITROINDAZOLE BOUND Deposited 2003-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：Subunits (A and B), residues 299-717)
Chain B
297–717（421 aa）
Fragment：Subunits (A and B), residues 299-717)
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 INE 3-BROMO-7-NITROINDAZOLE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG4000, MES, ammonium acetate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.30 Å R-free 0.280 |
| 1P6H Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound Deposited 2003-04-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：NOS HEME DOMAIN
Chain B
297–717（421 aa）
Fragment：NOS HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP1 L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.98 Å R-free 0.273 |
| 1P6I Rat neuronal NOS heme domain with (4S)-N-(4-amino-5-[aminoethyl]aminopentyl)-N'-nitroguanidine bound Deposited 2003-04-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：NOS HEME DOMAIN
Chain B
297–717（421 aa）
Fragment：NOS HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP3 N-{(4S)-4-AMINO-5-[(2-AMINOETHYL)AMINO]PENTYL}-N'-NITROGUANIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.256 |
| 1P6J Rat neuronal NOS heme domain with L-N(omega)-nitroarginine-(4R)-amino-L-proline amide bound Deposited 2003-04-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：NOS heme domain
Chain B
297–717（421 aa）
Fragment：NOS heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP9 L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 100K
|
Resolution 2.00 Å R-free 0.259 |
| 1P6K Rat neuronal NOS D597N mutant heme domain with L-N(omega)-nitroarginine-2,4-L-diaminobutyric amide bound Deposited 2003-04-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Chain B
297–717（421 aa）
|
Mutation：D597N Mutation：D597N | MTL D-MANNITOL × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP1 L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.78 Å R-free 0.250 |
| 1QAU UNEXPECTED MODES OF PDZ DOMAIN SCAFFOLDING REVEALED BY STRUCTURE OF NNOS-SYNTROPHIN COMPLEX Deposited 1999-03-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
14–125（112 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；Vapor diffusion, sitting drop, pH 8.5, 298K,
15% PEG 4000, 100 mM Tris
, VAPOR DIFFUSION, SITTING DROP
|
Resolution 1.25 Å R-free 0.255 |
| 1QAV Unexpected Modes of PDZ Domain Scaffolding Revealed by Structure of NNOS-Syntrophin Complex Deposited 1999-03-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
12–126（115 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；VAPOR DIFFUSION, SITTING DROP, PH 8.5, 298K, 25% PEG4000, 0.2M SODIUM ACETATE,
100MM TRIS
|
Resolution 1.90 Å R-free 0.259 |
| 1QW6 Rat neuronal nitric oxide synthase oxygenase domain in complex with N-omega-propyl-L-Arg. Deposited 2003-09-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
298–716（419 aa）
Fragment：residues 298-716
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；HEPES, DTT, PEG3350, EPPS, NaCl, glycerol, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.243 |
| 1QWC Rat neuronal nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. Deposited 2003-09-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
298–716（419 aa）
Fragment：residues 298-716
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；HEPES, DTT, PEG3350, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, W1400., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.235 |
| 1RS6 Rat neuronal NOS heme domain with D-lysine-D-nitroarginine amide bound Deposited 2003-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：heme domain
Chain B
297–717（421 aa）
Fragment：heme domain
|
Not recorded | MTL D-MANNITOL × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP2 D-lysyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.95 Å R-free 0.254 |
| 1RS7 Rat neuronal NOS heme domain with D-phenylalanine-D-nitroarginine amide bound Deposited 2003-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
Fragment：heme domain
Chain B
297–717（421 aa）
Fragment：heme domain
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 D7P D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide × 2 MTL D-MANNITOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；280 K；PEG4000, MES, ammonium acetate, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.95 Å R-free 0.251 |
| 1TLL CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. Deposited 2004-06-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
742–1429（688 aa）
Chain B
742–1429（688 aa）
|
Not recorded | SO3 SULFITE ION × 2 FMN FLAVIN MONONUCLEOTIDE × 2 FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；PEG4K, EDTA, Sodium-sulfite, Imidazole-Malate, DTT, glycerol, NADPH, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.30 Å R-free 0.272 |
| 1VAG Neuronal nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477 Deposited 2004-02-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
298–716（419 aa）
Fragment：neuronal oxide synthase oxygenase domain (residues 297-716)
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARR N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；HEPES, DTT, PEG3350, EPPS, NACL, GLYCEROL, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.229 |
| 1ZVI Rat Neuronal Nitric Oxide Synthase Oxygenase Domain Deposited 2005-06-02 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
298–716（419 aa）
Fragment：NEURONAL OXIDE SYNTHASE OXYGENASE DOMAIN
|
Not recorded | ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；HEPES, DTT, PEG3350, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.00 Å R-free 0.255 |
| 1ZVL Rat Neuronal Nitric Oxide Synthase Oxygenase Domain complexed with natural substrate L-Arg. Deposited 2005-06-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
298–716（419 aa）
Fragment：NEURONAL OXIDE SYNTHASE OXYGENASE DOMAIN
Chain B
298–716（419 aa）
Fragment：NEURONAL OXIDE SYNTHASE OXYGENASE DOMAIN
|
Not recorded | ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；HEPES, DTT, PEG3350, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.249 |
| 1ZZQ Rat nNOS D597N mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound Deposited 2005-06-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Mutation：D597N Mutation：D597N | ACT ACETATE ION × 2 ZN ZINC ION × 1 MTL D-MANNITOL × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP9 L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；300 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
Resolution 1.90 Å R-free 0.244 |
| 1ZZR Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-(4R)-amino-L-proline amide bound Deposited 2005-06-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Mutation：M336V, D597N Mutation：M336V, D597N | ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP9 L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE × 2 TFA trifluoroacetic acid × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；300 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 300K
|
Resolution 2.05 Å R-free 0.260 |
| 1ZZU Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound Deposited 2005-06-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Mutation：M336V, D597N Mutation：M336V, D597N | ACT ACETATE ION × 2 ZN ZINC ION × 1 MTL D-MANNITOL × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 DP1 L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.228 |
| 2G6H Structure of rat nNOS heme domain (BH4 bound) in the reduced form Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.256 |
| 2G6I Structure of rat nNOS heme domain (BH2-bound) in the reduced form Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 ARG ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.263 |
| 2G6J Structure of rat nNOS (L337N) heme domain (4-aminobiopterin bound) complexed with NO Deposited 2006-02-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Mutation：L337N Mutation：L337N | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 7AP (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL × 2 ARG ARGININE × 2 NO NITRIC OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.30 Å R-free 0.269 |
| 2G6K Structure of rat nNOS heme domain (BH4 bound) complexed with NO Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 NO NITRIC OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.248 |
| 2G6L Structure of rat nNOS heme domain (BH2 bound) complexed with NO Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 ARG ARGININE × 2 NO NITRIC OXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.05 Å R-free 0.272 |
| 2G6M Structure of rat nNOS heme domain (BH4 bound) complexed with CO Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 CMO CARBON MONOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.85 Å R-free 0.251 |
| 2G6N Strcture of rat nNOS heme domain (BH2 bound) complexed with CO Deposited 2006-02-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
299–718（420 aa）
Chain B
299–718（420 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 ARG ARGININE × 2 CMO CARBON MONOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.6；280 K；PEG3350, MES,
ammonium acetate, GSH, SDS, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.262 |
| 2HX3 Rat nNOS heme domain complexed with (4S)-N-{4-Amino-5-[(2-aminoethyl)-hydroxyamino]-pentyl}-N'-nitroguanidine Deposited 2006-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：residues 297-718
Chain B
297–718（422 aa）
Fragment：residues 297-718
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3HX (4S)-N-{4-AMINO-5-[(2-AMINOETHYL)(HYDROXYAMINO]-PENTYL}-N'-NITROGUANIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；280 K；PEG3350, MES, ammonium acetate, GSH, SDS, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K, pH 6.00
|
Resolution 2.00 Å R-free 0.258 |
| 2HX4 Rat nNOS heme domain complexed with 4-N-(Nw-nitro-L-argininyl)-trans-4-hydroxyamino-L-proline amide Deposited 2006-08-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 4HX (4R)-4-(HYDROXY{N~5~-[IMINO(NITROAMINO)METHYL]-L-ORNITHYL}AMINO)-L-PROLINAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；280 K；PEG3350, MES, ammonium acetate, GSH, SDS, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K, pH 6.00
|
Resolution 2.15 Å R-free 0.245 |
| 3B3M Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol Deposited 2007-10-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：residues 297-718
Chain B
297–718（422 aa）
Fragment：residues 297-718
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI1 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；278 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.233 |
| 3B3N Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine Deposited 2007-10-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：residues 297-718
Chain B
297–718（422 aa）
Fragment：residues 297-718
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI2 N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；278 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.98 Å R-free 0.270 |
| 3B3O Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine Deposited 2007-10-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：residues 297-718
Chain B
297–718（422 aa）
Fragment：residues 297-718
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI3 N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.05 Å R-free 0.253 |
| 3B3P Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine Deposited 2007-10-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：residues 297-718
Chain B
297–718（422 aa）
Fragment：residues 297-718
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI7 N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；280 K；PEG3350, MES, ammonium acetate, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.45 Å R-free 0.265 |
| 3DQR Structure of neuronal NOS D597N/M336V mutant heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine Deposited 2008-07-09 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI2 N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；278 K；PEG3350, MES,
ammonium acetate,
SDS, GSH, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.40 Å R-free 0.261 |
| 3FC5 G586S mutant nNOSoxy Deposited 2008-11-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：oxygenase domain, residues 297-718
Chain B
297–718（422 aa）
Fragment：oxygenase domain, residues 297-718
|
Mutation：G586S Mutation：G586S | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；100mM Na-MES buffer (pH 5.8-6.0), 200mM ammonium acetate, 25mM L-arginine, 35microM sodium dodecyl sulfate(SDS), 5mM glutathione, 2% isopropanol, 22-24% (w/v) PEG 3350 , VAPOR DIFFUSION, temperature 291K
|
Resolution 2.59 Å R-free 0.254 |
| 3HSN Ternary structure of neuronal nitric oxide synthase with NHA and CO bound Deposited 2009-06-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 CMO CARBON MONOXIDE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；278 K；PEG3350, MES, ammonium acetate
SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.91 Å R-free 0.210 |
| 3HSO Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(1) Deposited 2009-06-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NO NITRIC OXIDE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.02 Å R-free 0.224 |
| 3HSP Ternary structure of neuronal nitric oxide synthase with NHA and NO bound(2) Deposited 2009-06-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NO NITRIC OXIDE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；278 K；PEG3350, MES, ammonium acetate
SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.217 |
| 3JT3 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 JM2 N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.15 Å R-free 0.248 |
| 3JT4 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JM8 N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.80 Å R-free 0.231 |
| 3JT5 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 JM7 N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.210 |
| 3JT6 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JM6 N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.244 |
| 3JT7 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JM5 N~5~-[2-(propylsulfanyl)ethanimidoyl]-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.213 |
| 3JT8 Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JM4 N~5~-{3-[(1-methylethyl)sulfanyl]propanimidoyl}-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.222 |
| 3JT9 Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 JM7 N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.10 Å R-free 0.227 |
| 3JTA Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine Deposited 2009-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JM6 N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.18 Å R-free 0.245 |
| 3JWS Structure of neuronal nitric oxide synthase R349A mutant heme domain complexed with N1-[(3' S,4'S)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI4 N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.221 |
| 3JWT Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI5 N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.01 Å R-free 0.225 |
| 3JWU Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 J11 N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.93 Å R-free 0.205 |
| 3JWV Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 J14 N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.98 Å R-free 0.213 |
| 3JX0 Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N Mutation：D597N | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI4 N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.221 |
| 3JX1 Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N Mutation：D597N | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI5 N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.00 Å R-free 0.216 |
| 3JX2 Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'S,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI4 N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP
|
Resolution 2.10 Å R-free 0.248 |
| 3JX3 Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI5 N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.223 |
| 3JX4 Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 J11 N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.26 Å R-free 0.266 |
| 3JX5 Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 J14 N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.15 Å R-free 0.241 |
| 3JX6 Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride Deposited 2009-09-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：Residues 297-718
Chain B
297–718（422 aa）
Fragment：Residues 297-718
|
Mutation：D597N, M336V, Y706A Mutation：D597N, M336V, Y706A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JI5 N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；PEG3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.35 Å R-free 0.245 |
| 3N2R Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R/3S,4S)-4-(3-Phenoxyphenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Deposited 2010-05-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 XJH 6-{[(3R,4R)-4-(3-phenoxyphenoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.90 Å R-free 0.215 |
| 3N5V Structure of neuronal nitric oxide synthase heme domain in complex with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XFH 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.238 |
| 3N5W Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 4 ACT ACETATE ION × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.73 Å R-free 0.205 |
| 3N5X Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine × 4 ACT ACETATE ION × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.198 |
| 3N5Y Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(pyridine-2,6-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XFL 6,6'-(pyridine-2,6-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K
|
Resolution 2.05 Å R-free 0.228 |
| 3N5Z Structure of neuronal nitric oxide synthase heme domain in complex with 4-(2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)ethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.243 |
| 3N60 Structure of neuronal nitric oxide synthase heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.98 Å R-free 0.232 |
| 3N61 Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.213 |
| 3N62 Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：Asp597Asn Mutation：Asp597Asn | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 4 ACT ACETATE ION × 2 MTL D-MANNITOL × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 3 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.208 |
| 3N63 Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.236 |
| 3N64 Structure of neuronal nitric oxide synthase D597N mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：D597N Mutation：D597N | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.217 |
| 3N65 Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：Ser602His Mutation：Ser602His | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 4 CL CHLORIDE ION × 2 ZN ZINC ION × 3 MTL D-MANNITOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.194 |
| 3N66 Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：S602H Mutation：S602H | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 MTL D-MANNITOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350
100mM MES
100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å R-free 0.216 |
| 3N67 Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.09 Å R-free 0.218 |
| 3N68 Structure of endothelial nitric oxide synthase heme domain N368D/V106M double mutant complexed with 4-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 XFH 6-(2-{3-[2-(2-amino-6-methylpyridin-4-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine × 2 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.53 Å R-free 0.254 |
| 3N69 Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.65 Å R-free 0.215 |
| 3N6A Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.49 Å R-free 0.243 |
| 3N6B Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CAD CACODYLIC ACID × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 3.10 Å R-free 0.274 |
| 3N6D Structure of endothelial nitric oxide synthase H373S single mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CAD CACODYLIC ACID × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 3.05 Å R-free 0.289 |
| 3N6E Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 XFN 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine) × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.215 |
| 3N6F Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.18 Å R-free 0.218 |
| 3N6G Structure of endothelial nitric oxide synthase N368D single mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine Deposited 2010-05-25 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-yl}ethyl)-4-methylpyridin-2-amine × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；9-12% PEG 3350, 0.2M magnesium acetate, 0.1M sodium cacodylate, 0.005M TCEP-HCl , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.21 Å R-free 0.238 |
| 3NLJ Structure of neuronal nitric oxide synthase D597N/M336V/Y706A triple mutant heme domain complexed with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy] pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：D597N, M336V, Y706A Mutation：D597N, M336V, Y706A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JRR 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG 3350, 0.1M MES, 0.1-0.14M ammonium acetate, 35uM SDS, 5mM GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.268 |
| 3NLK Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JSS 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.02 Å R-free 0.211 |
| 3NLM Structure of neuronal nitric oxide synthase heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 JRR 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.85 Å R-free 0.222 |
| 3NLN Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JRS 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.225 |
| 3NLO Structure of neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-{{(3'S,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：R349A Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JSR 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.30 Å R-free 0.262 |
| 3NLP Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'S,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JSS 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.02 Å R-free 0.228 |
| 3NLQ Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JRR 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.259 |
| 3NLR Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Mutation：D597N, M336V Mutation：D597N, M336V | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JRS 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.235 |
| 3NLV Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3XA 6-{[(3S,4S)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate
SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.211 |
| 3NLW Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-(2,2-Difluoro-2-(piperidin-2-yl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3XF 6-({(3S,4S)-4-[2-({2,2-difluoro-2-[(2R)-piperidin-2-yl]ethyl}amino)ethoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.207 |
| 3NLX Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(3-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3XB 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.87 Å R-free 0.209 |
| 3NLY Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2- (2,2-Difluoro-2-(4-fluorophenyl)ethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3XC 6-{[(3R,4R)-4-(2-{[2,2-difluoro-2-(4-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.99 Å R-free 0.249 |
| 3NLZ Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3XD 6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate, SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.92 Å R-free 0.210 |
| 3NM0 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy) pyrrolidin-3-yl)methyl)-4-methyl-3,4,5,6-tetrahydropyridin-2-amine Deposited 2010-06-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3XE (4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；PEG 3350, MES, ammonium acetate
SDS, GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.81 Å R-free 0.209 |
| 3NNY Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3R,4R)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Deposited 2010-06-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 59R 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.223 |
| 3NNZ Structure of rat neuronal nitric oxide synthase heme domain complexed with 6-(((3S,4S)-4-(2-(3-Fluorophenethylamino)ethoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Deposited 2010-06-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 59W 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 100mM MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.97 Å R-free 0.213 |
| 3PNE Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-11-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 8AX 6-{[(3R,4R)-4-(2-{[2-(3-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.97 Å R-free 0.219 |
| 3PNF Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2-chlorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-11-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8BX 6-{[(3R,4R)-4-(2-{[2-(2-chlorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.94 Å R-free 0.215 |
| 3PNG Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2-fluoro-2-(3-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2010-11-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 8CX 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES, 100-140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.88 Å R-free 0.235 |
| 3Q99 Structure of neuronal nitric oxide synthase in the ferric state in complex with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 JM8 N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.239 |
| 3Q9A Structure of neuronal nitric oxide synthase in the ferric state in complex with N-5-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine Deposited 2011-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 JM7 N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140mM ammonium acetate, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.24 Å R-free 0.236 |
| 3RQJ Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R)-2-(3-Fluorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 Y2B 6-{[(3R,4R)-4-(2-{[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；22-24% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.84 Å R-free 0.221 |
| 3RQK Structure of the neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine and its isomer Deposited 2011-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X2C 4-methyl-6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-methylphenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；22-24% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.21 Å R-free 0.258 |
| 3RQL Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((1S,2R/1R,2S)-2-(3-Clorophenyl)cyclopropylamino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 X2D 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；22-24% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.93 Å R-free 0.235 |
| 3RQM Structure of the neuronal nitric oxide synthase heme domain in complex with 6-{[(3R,4R)-4-(2-{[(2R/2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine Deposited 2011-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X2E 6-{[(3R,4R)-4-(2-{[(2R)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；22-24% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.208 |
| 3RQN Structure of the neuronal nitric oxide synthase heme domain in complex with 6-(((3*R*,4*R*)-4-(2-(((*S* )-1-(3-fluorophenyl)propan-2-yl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Y2F 6-{[(3R,4R)-4-(2-{[(2S)-1-(3-fluorophenyl)propan-2-yl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；22-24% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.95 Å R-free 0.209 |
| 3SVP Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：sequence database residues 297-718
Chain B
297–718（422 aa）
Fragment：sequence database residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 JK5 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5,8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.246 |
| 3SVQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：sequence database residues 297-718
Chain B
297–718（422 aa）
Fragment：sequence database residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JK4 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20% PEG3350, 0.1M MES, 0.14M Ammonium acetate, 5mM GSH, 35uM SDS, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.18 Å R-free 0.262 |
| 3TYL Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-fluorobenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 AXW 6-{[(3S,4S)-4-{2-[(2-fluorobenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350 0.1M MES, 140mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.90 Å R-free 0.211 |
| 3TYM Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((2-methoxybenzyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 08R 6-{[(3S,4S)-4-{2-[(2-methoxybenzyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350 0.1M MES, 140mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.227 |
| 3TYN Structure of neuronal nitric oxide synthase heme domain in complex with 2-(((2-(((3S,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)ethyl)amino)methyl)phenol Deposited 2011-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 CXW 2-({[2-({(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)ethyl]amino}methyl)phenol × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350 0.1M MES
140mM ammonium acetate
10% ethylene glycol
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.97 Å R-free 0.223 |
| 3TYO Structure of neuronal nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(2-((furan-2-ylmethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 DXW 6-{[(3S,4S)-4-{2-[(furan-2-ylmethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350 0.1M MES, 140mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.93 Å R-free 0.215 |
| 3UFO Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 HW4 6-{[(3S,4S)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.17 Å R-free 0.254 |
| 3UFP Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 H4W 6-{[(3R,4R)-4-{[5-(3-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.262 |
| 3UFQ Structure of rat nitric oxide synthase heme domain in complex with 6-(((3S,4S)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 HW5 6-{[(3S,4S)-4-{[(4E)-5-(3-fluorophenyl)pent-4-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.06 Å R-free 0.231 |
| 3UFR Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(((E)-5-(3-fluorophenyl)pent-4-en-1-yl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 H5W 6-{[(3R,4R)-4-{[(3E)-4-(3-fluorophenyl)but-3-en-1-yl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.249 |
| 3UFS Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(3-chloro-5-fluorophenyl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW6 6-{[(3R,4R)-4-{[5-(3-chloro-5-fluorophenyl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.97 Å R-free 0.233 |
| 3UFT Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(4-(3-chloro-5-fluorophenoxy)butoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW7 6-({(3R,4R)-4-[4-(3-chloro-5-fluorophenoxy)butoxy]pyrrolidin-3-yl}methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.08 Å R-free 0.260 |
| 3UFU Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(pyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 HW8 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.89 Å R-free 0.209 |
| 3UFV Structure of rat nitric oxide synthase heme domain in complex with 4-methyl-6-(((3R,4R)-4-((5-(4-methylpyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)pyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW9 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K, temperature 298K
|
Resolution 2.08 Å R-free 0.218 |
| 3UFW Structure of rat nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-((5-(6-aminopyridin-2-yl)pentyl)oxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine Deposited 2011-11-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP Residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP Residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 HW0 6-{[(3R,4R)-4-{[5-(6-aminopyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 140-200mM Ammonium Sulfate, 10% Ethylene Glycol, 5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.244 |
| 4C39 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy) methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine Deposited 2013-08-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q16 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30 UM SDS, pH 5.8
|
Resolution 1.98 Å R-free 0.228 |
| 4CAM Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine Deposited 2013-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M87 7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.83 Å R-free 0.230 |
| 4CAN Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-Fluorobenzylamino)ethyl)quinolin-2-amine Deposited 2013-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M7K 7-{2-[(3-fluorobenzyl)amino]ethyl}quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30 UM SDS, pH 5.8
|
Resolution 1.91 Å R-free 0.239 |
| 4CAO Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine Deposited 2013-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M46 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30 UM SDS, pH 5.8
|
Resolution 1.98 Å R-free 0.236 |
| 4CAP Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)methyl))quinolin-2- amine Deposited 2013-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ML6 7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5MM GSH, 30UM SDS, pH 5.8
|
Resolution 2.06 Å R-free 0.235 |
| 4CAQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Chlorophenethylamino)ethyl)quinolin-2-amine Deposited 2013-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M68 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1 MES PH5.8, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5MM GSH, 30UM SD
|
Resolution 1.95 Å R-free 0.228 |
| 4CDT Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine Deposited 2013-11-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M48 7-[2-[2-(3-fluorophenyl)ethylamino]ethyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1 MES PH5.8, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5MM GSH, 30UM SD
|
Resolution 2.00 Å R-free 0.247 |
| 4CTP Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 2IK 6-[(2S)-2-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 2.05 Å R-free 0.224 |
| 4CTQ Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl) ethyl)phenyl)ethyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S5D (R)-6-(2-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 2.00 Å R-free 0.225 |
| 4CTR Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(6-Amino-4-methylpyridin-2-yl)-1-(3-(2-(6-amino-4- methylpyridin-2-yl)ethyl )phenyl)ethan-1-ol Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S20 (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 2.20 Å R-free 0.262 |
| 4CTT Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S7K (S)-6-(2-amino-2-(3-(2-(4-methylpyridin-2-yl)ethyl)phenyl)ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 2.30 Å R-free 0.249 |
| 4CTU Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Amino-2-(3-(2-(6-amino-4-methylpyridin-2-yl)ethyl) phenyl)propyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S42 6-[(2R)-3-amino-2-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}propyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 2.16 Å R-free 0.234 |
| 4CTV Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl) pyridin-2-yl)propyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7S7 6-(3-amino-2-(6-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-2-yl)propyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.78 Å R-free 0.239 |
| 4CTW Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S71 (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.90 Å R-free 0.228 |
| 4CTX Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine Deposited 2014-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 71S 6-[(2S)-3-amino-2-{5-[2-(6-amino-4-methylpyridin-2-yl)ethyl]pyridin-3-yl}propyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35 UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.82 Å R-free 0.227 |
| 4CX3 Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE Deposited 2014-04-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW8 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 MES PH 5.8, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35UM SDS, 5MM GSH
|
Resolution 1.97 Å R-free 0.209 |
| 4CX4 Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(4- METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE Deposited 2014-04-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW9 4-methyl-6-{[(3R,4R)-4-{[5-(4-methylpyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 MES PH 5.8, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35UM SDS, 5MM GSH
|
Resolution 1.98 Å R-free 0.212 |
| 4CX5 Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE Deposited 2014-04-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW8 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1 MES PH 5.8, 140-200MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 35UM SDS, 5MM GSH
|
Resolution 1.80 Å R-free 0.226 |
| 4CX6 Structure of rat neuronal nitric oxide synthase H341L mutant heme domain in complex with 6-((((3S, 5R)-5-(((6-AMINO-4-METHYLPYRIDIN-2- YL)METHOXY)METHYL)PYRROLIDIN-3-YL)OXY)METHYL)-4-METHYLPYRIDIN-2-AMINE Deposited 2014-04-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q16 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1 MES PH 5.8 140-200MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 35UM SDS 5MM GSH
|
Resolution 1.90 Å R-free 0.216 |
| 4D2Y Structure of rat neuronal nitric oxide synthase heme domain in complex with (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 L5Z (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 1.98 Å R-free 0.208 |
| 4D2Z Structure of rat neuronal nitric oxide synthase heme domain in complex with (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-YL)pyrimidin-4-YL]ethyl}cyclopropanamine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 K9L (1S,2S)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 1.89 Å R-free 0.227 |
| 4D30 Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin- 3-yl)propan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EG8 N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 1.96 Å R-free 0.235 |
| 4D31 Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OLW 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 1.95 Å R-free 0.241 |
| 4D32 Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(3-fluorophenyl)-N-2-(2-(5-methyl-1H-imidazol-1-yl) pyrimidin-4-yl)ethylpropan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7F5 3-(3-fluorophenyl)-N-{2-[2-(5-methyl-1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 2.10 Å R-free 0.261 |
| 4D3B Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6J0 N-[2-(3-fluorophenyl)ethyl]-N'-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 10% ETHYLENE GLYCOL 140-200 MM AMMONIUM ACETATE 5 MM GSH 35UM SDS, pH 5.8
|
Resolution 1.80 Å R-free 0.226 |
| 4D7O Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4- methylpyridin-2-amine Deposited 2014-11-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 0GD 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1 M CACODYLATE, 0.14-0.2 M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 35 UM SDS, pH 5.8
|
Resolution 1.78 Å R-free 0.209 |
| 4EUX Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine Deposited 2012-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW1 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-22% PEG 3350, 0.1M MES,
140-200 mM ammonium acetate, 35 uM SDS, 5mM GSH, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.14 Å R-free 0.228 |
| 4EUX Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine Deposited 2012-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HW1 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-22% PEG 3350, 0.1M MES,
140-200 mM ammonium acetate, 35 uM SDS, 5mM GSH, 10% ethylene glycol, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.14 Å R-free 0.228 |
| 4FVW Structure of rat nNOS heme domain in complex with N(omega)-methoxy-L-arginine Deposited 2012-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1KJ N~5~-(N-methoxycarbamimidoyl)-L-ornithine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1M Cacodylate,
140-200mM ammonium acetate,
10% ethylene glycol,
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.81 Å R-free 0.218 |
| 4FVX Structure of rat nNOS heme domain in complex with N(omega)-ethoxy-L-arginine Deposited 2012-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 2KJ N~5~-(N-ethoxycarbamimidoyl)-L-ornithine × 2 TFA trifluoroacetic acid × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1M Cacodylate,
140-200mM ammonium acetate,
10% ethylene glycol,
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.221 |
| 4FVY Structure of rat nNOS heme domain in complex with N(omega)-hydroxy- N(omega)-methyl-L-arginine Deposited 2012-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 3KJ N~5~-(N-hydroxy-N-methylcarbamimidoyl)-L-ornithine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1M Cacodylate,
140-200mM ammonium acetate,
10% ethylene glycol,
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.70 Å R-free 0.212 |
| 4FVZ Structure of rat nNOS heme domain in complex with N(omega)-methyl- N(omega)-methoxy-L-arginine Deposited 2012-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 4KJ (5E)-5-[(N-methoxy-N-methylcarbamimidoyl)imino]-L-norvaline × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1M Cacodylate,
140-200mM ammonium acetate,
10% ethylene glycol,
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.99 Å R-free 0.245 |
| 4FW0 Structure of rat nNOS heme domain in complex with N(delta)-methyl- N(omega)-hydroxy-L-arginine Deposited 2012-06-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 5KJ N~5~-(N-hydroxycarbamimidoyl)-N~5~-methyl-L-ornithine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1M Cacodylate,
140-200mM ammonium acetate,
10% ethylene glycol,
5mM GSH, 35uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.232 |
| 4GQE Structure of rat neuronal nitric oxide synthase heme domain in complex with (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline Deposited 2012-08-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 6KJ (5E)-5-[(N-tert-butoxycarbamimidoyl)imino]-L-norvaline × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；22% PEG3350, 0.1M MES, 200mM ammonium acetate, 10% ethylene glycol, 5mM GSH, 35uM SDS , pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.222 |
| 4HOP Crystal structure of the computationally designed NNOS-Syntrophin complex Deposited 2012-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
4–126（123 aa）
Fragment：PDZ DOMAIN (RESIDUES 4-126)
|
Mutation：T109M | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；293 K；0.1M MES, 0.2M LICL, 21.5% PEG 6000. SYNTROPHIN AT 3.6 MG/ML FINAL. NNOS AT 2.6 MG/ML FINAL. 1:1 MIX OF PROTEIN SOLUTION TO PRECIPITANT, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.29 Å R-free 0.273 |
| 4HOP Crystal structure of the computationally designed NNOS-Syntrophin complex Deposited 2012-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
4–126（123 aa）
Fragment：PDZ DOMAIN (RESIDUES 4-126)
|
Mutation：T109M | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；293 K；0.1M MES, 0.2M LICL, 21.5% PEG 6000. SYNTROPHIN AT 3.6 MG/ML FINAL. NNOS AT 2.6 MG/ML FINAL. 1:1 MIX OF PROTEIN SOLUTION TO PRECIPITANT, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.29 Å R-free 0.273 |
| 4HOP Crystal structure of the computationally designed NNOS-Syntrophin complex Deposited 2012-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
4–126（123 aa）
Fragment：PDZ DOMAIN (RESIDUES 4-126)
|
Mutation：T109M | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；293 K；0.1M MES, 0.2M LICL, 21.5% PEG 6000. SYNTROPHIN AT 3.6 MG/ML FINAL. NNOS AT 2.6 MG/ML FINAL. 1:1 MIX OF PROTEIN SOLUTION TO PRECIPITANT, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.29 Å R-free 0.273 |
| 4IMS Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-((5-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2013-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 12S 6,6'-{[5-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350
0.1 M MES
200 mM ammonium acetate
10% ethylene glycol
5 mM GSH
35 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.15 Å R-free 0.235 |
| 4IMT Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((4-(3-aminopropyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2013-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1EW 6,6'-{[4-(3-aminopropyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350
0.1 M MES
200 mM ammonium acetate
10% ethylene glycol
5 mM GSH
35 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.248 |
| 4IMU Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) Deposited 2013-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1ET 6,6'-{[5-(aminomethyl)benzene-1,3-diyl]diethane-2,1-diyl}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350
0.1 M MES
200 mM ammonium acetate
10% ethylene glycol
5 mM GSH
35 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.03 Å R-free 0.225 |
| 4IMW Structure of rat neuronal nitric oxide synthase in complex with 3,5-bis(2-(6-amino-4-methylpyridin-2-yl)ethyl)benzonitrile Deposited 2013-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：unp residues 297-718
Chain B
297–718（422 aa）
Fragment：unp residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 1EV 3,5-bis[2-(6-amino-4-methylpyridin-2-yl)ethyl]benzonitrile × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350
0.1 M MES
200 mM ammonium acetate
10% ethylene glycol
5 mM GSH
35 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.273 |
| 4JSE Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(pentane-1,5-diyl)bis(4-methylpyridin-2-amine) Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 QJ2 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) × 4 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 3 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.97 Å R-free 0.205 |
| 4JSF Structure of rat neuronal nitric oxide synthase heme domain in complex with 6,6'-(heptane-1,7-diyl)bis(4-methylpyridin-2-amine) Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 QJ4 6,6'-heptane-1,7-diylbis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.217 |
| 4JSG Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(3-aminopropoxy)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 Q10 6-{[3-(3-aminopropoxy)phenoxy]methyl}-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.94 Å R-free 0.226 |
| 4JSH Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-((3-(piperidin-4-ylmethoxy)phenoxy)methyl)pyridin-2-amine Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q15 4-methyl-6-{[3-(piperidin-4-ylmethoxy)phenoxy]methyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.35 Å R-free 0.253 |
| 4JSI Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((3-(((3-fluorophenethyl)amino)methyl)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q05 6-{[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.09 Å R-free 0.241 |
| 4JSJ Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((5-(((3-fluorophenethyl)amino)methyl)pyridin-3-yl)oxy)methyl)-4-methylpyridin-2-amine Deposited 2013-03-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 QJ7 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 100 mM ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.92 Å R-free 0.225 |
| 4K5D Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine Deposited 2013-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 1Q6 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.233 |
| 4K5E Structure of neuronal nitric oxide synthase heme domain in complex with (R)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine Deposited 2013-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1Q7 6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.89 Å R-free 0.212 |
| 4K5F Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,3-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-butan-4-amine Deposited 2013-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 Q14 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å R-free 0.248 |
| 4K5G Structure of neuronal nitric oxide synthase heme domain in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane Deposited 2013-04-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q13 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.85 Å R-free 0.219 |
| 4KCH Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-([1,1'-biphenyl]-3,3'-diyl)bis(thiophene-2-carboximidamide) Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 H38 N,N'-biphenyl-3,3'-diyldithiophene-2-carboximidamide × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.15 Å R-free 0.250 |
| 4KCI Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-(ethane-1,2-diylbis(3,1-phenylene))bis(thiophene-2-carboximidamide) Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 1QE N,N'-(ethane-1,2-diyldibenzene-3,1-diyl)dithiophene-2-carboximidamide × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.27 Å R-free 0.238 |
| 4KCJ Structure of neuronal nitric oxide synthase heme domain in complex with N,N'-((ethane-1,2-diylbis(oxy))bis(3,1-phenylene))bis(thiophene-2-carboximidamide) Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 H36 N,N'-[ethane-1,2-diylbis(oxybenzene-3,1-diyl)]dithiophene-2-carboximidamide × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.242 |
| 4KCK Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 H45 N-(3-{2-[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.10 Å R-free 0.264 |
| 4KCL Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 H44 N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.93 Å R-free 0.213 |
| 4KCM Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-(ethyl(3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1QF N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide × 2 BR BROMIDE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.07 Å R-free 0.236 |
| 4KCN Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-(((3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 MTL D-MANNITOL × 3 5H3 N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide × 2 ZN ZINC ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.85 Å R-free 0.217 |
| 4KCO Structure of neuronal nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide Deposited 2013-04-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
Chain B
297–718（422 aa）
Fragment：heme domain (UNP residues 297-718)
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5H4 N-[3-({ethyl[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide × 2 BR BROMIDE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-22% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 5 mM GSH, 30 uM SDS, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.86 Å R-free 0.220 |
| 4LUX Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine Deposited 2013-07-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 QJ8 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-22% PEG3350, 0.1 M MES, 0.2 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH, pH 5.8, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 1.86 Å R-free 0.212 |
| 4UGZ Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1, N2-dimethylethane-1,2-diamine Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 4V4 N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 2.08 Å R-free 0.227 |
| 4UH0 Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(6-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-2- yl)-N1,N2-dimethylethane-1,2-diamine Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SKO N'-[6-[2-(6-AZANYL-4-METHYL-PYRIDIN-2-YL)ETHYL]PYRIDIN-2-YL]-N,N'-DIMETHYL-ETHANE-1,2-DIAMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 2.04 Å R-free 0.224 |
| 4UH1 Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3- yl)-N1,N2-dimethylethane-1,2-diamine Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EXI N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 1.80 Å R-free 0.234 |
| 4UH2 Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(trifluoromethyl)phenyl)-N1,N2-dimethylethane-1,2-diamine Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S84 N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(TRIFLUOROMETHYL)PHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 1.99 Å R-free 0.215 |
| 4UH3 Structure of rat neuronal nitric oxide synthase heme domain in complex with N1-(3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5- fluorophenyl)-N1,N2-dimethylethane-1,2-diamine Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S85 N1-(3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-FLUOROPHENYL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 2.03 Å R-free 0.234 |
| 4UH4 Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(methyl(2-(methylamino)ethyl)amino)benzonitrile Deposited 2015-03-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q1T 3-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL)-5-(METHYL(2-(METHYLAMINO)ETHYL)AMINO)BENZONITRILE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.95 Å R-free 0.224 |
| 4UPM Structure of rat neuronal nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide Deposited 2014-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I5U N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 1.90 Å R-free 0.210 |
| 4UPN Structure of rat neuronal nitric oxide synthase heme domain in complex with N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide Deposited 2014-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7LN N,N''-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 2.09 Å R-free 0.245 |
| 4UPO Structure of rat neuronal nitric oxide synthase heme domain in complex with N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide Deposited 2014-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6E5 N-[3-({[(3S,5S)-5-{[(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}benzyl)oxy]methyl}pyrrolidin-3-yl]oxy}methyl)phenyl]thiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.95 Å R-free 0.224 |
| 4UPP Structure of rat neuronal nitric oxide synthase heme domain in complex with N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide Deposited 2014-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 PQW N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M MES, PH5.8 140-200 MM AMMONIUM ACETATE 10% ETHYLENE GLYCOL 5 MM GSH 30UM SDS
|
Resolution 1.91 Å R-free 0.218 |
| 4V3V Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 S8F 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 10% ETHYLENE GLYCOL 140-200 MM AMMONIUM ACETATE 5 MM GSH 35UM SDS, pH 5.8
|
Resolution 2.06 Å R-free 0.263 |
| 4V3W Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3- fluorophenethyl)ethan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 E2Z 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 10% ETHYLENE GLYCOL 140-200 MM AMMONIUM ACETATE 5 MM GSH 35UM SDS, pH 5.8
|
Resolution 2.13 Å R-free 0.265 |
| 4V3X Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- fluorophenyl)propan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 4E8 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 10% ETHYLENE GLYCOL 140-200 MM AMMONIUM ACETATE 5 MM GSH 35UM SDS, pH 5.8
|
Resolution 1.99 Å R-free 0.239 |
| 4V3Y Structure of rat neuronal nitric oxide synthase heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3- chlorophenyl)propan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HLW 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 10% ETHYLENE GLYCOL, 140-200 MM AMMONIUM ACETATE, 5 MM GSH, 35UM SDS, pH 5.8
|
Resolution 1.96 Å R-free 0.248 |
| 4V3Z Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine Deposited 2014-10-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9HL N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350 0.1M MES 10% ETHYLENE GLYCOL 140-200 MM AMMONIUM ACETATE 5 MM GSH 35UM SDS, pH 5.8
|
Resolution 2.05 Å R-free 0.265 |
| 5AD4 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Dimethylamino)ethyl)phenoxy)methyl)quinolin-2- amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6M8 7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.98 Å R-free 0.266 |
| 5AD5 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M94 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.90 Å R-free 0.239 |
| 5AD6 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7M3 7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.00 Å R-free 0.251 |
| 5AD7 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M85 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.95 Å R-free 0.230 |
| 5AD8 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9M9 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.91 Å R-free 0.232 |
| 5AD9 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-(Dimethylamino)methyl)phenoxy)methyl)quinolin-2- amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8VJ 7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.30 Å R-free 0.260 |
| 5ADA Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-((Dimethylamino)methyl)phenyl)amino)methyl) quinolin-2-amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 2SN 7-[[[3-[(dimethylamino)methyl]phenyl]amino]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, PH 5.8
|
Resolution 1.98 Å R-free 0.236 |
| 5ADB Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl)phenoxy)methyl) quinolin-2-amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XEB 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.05 Å R-free 0.255 |
| 5ADC Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((5-((Methylamino)methyl)pyridin-3-yl)oxy)methyl) quinolin-2-amine Deposited 2015-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 TUE 7-[[5-[(methylideneamino)methyl]pyridin-3-yl]oxymethyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.10 Å R-free 0.253 |
| 5ADD Structure of rat neuronal nitric oxide synthase d597n m336v mutant heme domain in complex with 7-((3-(methylamino)methyl) phenoxy)methyl)quinolin-2-amine Deposited 2015-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M85 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.10 Å R-free 0.231 |
| 5ADE Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 7-((4-Chloro-3-((methylamino)methyl) phenoxy)methyl)quinolin-2-amine Deposited 2015-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XEB 7-[[4-chloranyl-3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.10 Å R-free 0.248 |
| 5AGK Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 RGE (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 2.00 Å R-free 0.215 |
| 5AGL Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CCW (S)-2-Amino-5-(2-(methylsulfonyl)acetimidamido)pentanoic acid × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.94 Å R-free 0.210 |
| 5AGM Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-oxoacetimidamido)pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 WT2 (S)-2-AMINO-5-(2-OXOACETIMIDAMIDO)PENTANOIC ACID × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.84 Å R-free 0.235 |
| 5AGN Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 4JK (S)-2-AMINO-5-(2-HYDROXYACETIMIDAMIDO)PENTANOIC ACID × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.95 Å R-free 0.222 |
| 5AGO Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 VUR (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 1.90 Å R-free 0.215 |
| 5AGP Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-mercaptoacetimidamido)pentanoic acid Deposited 2015-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 VUR (S)-2-AMINO-5-(2-MERCAPTOACETIMIDAMIDO)PENTANOIC ACID × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350, 0.1M MES PH5.8, 140-200 MM AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 5 MM GSH, 30UM SDS
|
Resolution 2.10 Å R-free 0.251 |
| 5FVO Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine Deposited 2016-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 D8H 6-(2-(5-(3-methoxypropylamino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.12 Å R-free 0.255 |
| 5FVP Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 WOS 4-methyl-6-[2-(5-morpholin-4-ylpyridin-3-yl)ethyl]pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.10 Å R-free 0.232 |
| 5FVQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl) ethyl)pyridin-2-amine Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W64 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.95 Å R-free 0.227 |
| 5FVR Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-METHYL-6-(2-(5-(1-METHYLPIPERIDIN-4-YL)PYRIDIN-3-YL) ETHYL)PYRIDIN-2-AMINE Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 H65 4-methyl-6-(2-(5-(1-methylpiperidin-4-yl)pyridin-3-yl)ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.84 Å R-free 0.218 |
| 5FVS Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-methyl-6-(2-(5-(3-(methylamino)propyl)pyridin-3-yl) ethyl)pyridin-2-amine Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W66 4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.95 Å R-free 0.228 |
| 5FVT Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-(3-(dimethylamino)propyl)pyridin-3-yl)ethyl)-4- methylpyridin-2-amine Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W67 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH, pH 5.8
|
Resolution 1.83 Å R-free 0.205 |
| 5FW0 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl) ethyl)-4-methylpyridin-2-amine Deposited 2016-02-10 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W30 6-(2-(5-((2-methoxyethyl)(methyl)amino)pyridin-3-yl)ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.80 Å R-free 0.225 |
| 5G0N Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-(5-(2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL) PYRIDIN-3-YL)-N1,N2-DIMETHYLETHANE-1,2-DIAMINE Deposited 2016-03-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EXI N1-(5-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)-N1,N2-dimethylethane-1,2-diamine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.94 Å R-free 0.216 |
| 5G0O Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with 4-METHYL-6-(2-(5-(4-METHYLPIPERAZIN-1-YL) PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE Deposited 2016-03-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W64 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 1.85 Å R-free 0.233 |
| 5G0P Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN- 3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE Deposited 2016-03-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
Chain B
297–718（422 aa）
Fragment：HEME DOMAIN, RESIDUES 297-718
|
Mutation：YES Mutation：YES | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W67 6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-24% PEG3350, 0.1M MES 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS 5 MM GSH, pH 5.8
|
Resolution 2.10 Å R-free 0.245 |
| 5UNR Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8EV 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.247 |
| 5UNS Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine Deposited 2017-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Mutation：none Mutation：none | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8J4 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH
|
Resolution 1.90 Å R-free 0.242 |
| 5UNT Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[(3-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8J1 4-methyl-7-({3-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30uM SDS, 5 mM GSH
|
Resolution 2.05 Å R-free 0.240 |
| 5UNU Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 8EY 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.05 Å R-free 0.248 |
| 5UNV Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-7-[3-((methylamino)methyl)phenethyl]quinolin-2-amine Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8J7 4-methyl-7-(2-{3-[(methylamino)methyl]phenyl}ethyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES,0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.245 |
| 5UNW Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-((methylamino)methyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8F7 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.04 Å R-free 0.253 |
| 5UNX Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8F1 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.03 Å R-free 0.258 |
| 5UNY Structure of rat neuronal nitric oxide synthase heme domain in complex with (RS)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M4R 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile × 2 8FD 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.82 Å R-free 0.238 |
| 5UNZ Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M4R 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2R)-2-(methylamino)propyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES, 0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL, 30UM SDS, 5 MM GSH
|
Resolution 1.95 Å R-free 0.238 |
| 5UO0 Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile Deposited 2017-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8FD 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES,0.14-0.20M AMMONIUM ACETATE, 10% ETHYLENE GLYCOL,30UM SDS, 5 MM GSH
|
Resolution 1.97 Å R-free 0.260 |
| 5VUI Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-Fluorophenyl)amino)methyl)quinolin-2-amine Dihydrochloride Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M62 7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.06 Å R-free 0.252 |
| 5VUJ Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 JHT 7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.231 |
| 5VUK Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9P1 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.241 |
| 5VUL Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 P64 7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.213 |
| 5VUM Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XH8 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2- × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.10 Å R-free 0.248 |
| 5VUN Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methylpyridin-3-yl)propyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9OM 7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 MTL D-MANNITOL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.75 Å R-free 0.217 |
| 5VUO Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(4-Methoxypyridin-3-yl)propyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9OS 7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 MTL D-MANNITOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.228 |
| 5VUP Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(5-Fluoropyridin-3-yl)propyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 9P4 7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.94 Å R-free 0.229 |
| 5VUQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)benzonitrile Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 P94 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.238 |
| 5VUR Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9P7 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.97 Å R-free 0.239 |
| 5VUS Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-chlorobenzonitrile Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9PM 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.245 |
| 5VUT Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)benzonitrile Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9OG 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.238 |
| 5VUU Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile Deposited 2017-05-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 3 9OJ 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 1.96 Å R-free 0.244 |
| 6AUQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BYJ 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30UM SDS, 5 MM GSH
|
Resolution 1.95 Å R-free 0.256 |
| 6AUR Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W68 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30UM SDS, 5 MM GSH
|
Resolution 1.75 Å R-free 0.212 |
| 6AUS Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-(2-(6-Amino-4-methylpyridin-2-yl)ethyl)-5-(3-(methylamino)propyl)benzonitrile Deposited 2017-09-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Mutation：none Mutation：none | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 BYV 3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30UM SDS, 5 MM GSH
|
Resolution 1.70 Å R-free 0.228 |
| 6AUT Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(Dimethylamino)propyl)-5-fluorophenethyl)-4-methylpyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W69 6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30UM SDS, 5 MM GSH
|
Resolution 1.90 Å R-free 0.235 |
| 6AUU Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-5-(trifluoromethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Fragment：UNP residues 297-718
Chain B
297–718（422 aa）
Fragment：UNP residues 297-718
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BY7 6-(2-{3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 1 MTL D-MANNITOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.240 |
| 6AUV Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(3-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W79 4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.76 Å R-free 0.222 |
| 6AUW Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-Methyl-6-(2-(5-(4-((methylamino)methyl)phenyl)pyridin-3-yl)ethyl)pyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W80 4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.70 Å R-free 0.229 |
| 6AUX Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2-(5-Fluoro-3'-((methylamino)methyl)-[1,1'-biphenyl]-3-yl)ethyl)-4-methylpyridin-2-amine Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 W82 6-(2-{5-fluoro-3'-[(methylamino)methyl][1,1'-biphenyl]-3-yl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.210 |
| 6NGJ Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KLY 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.76 Å R-free 0.217 |
| 6NGK Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)prop-1-yn-1-yl)-5-fluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KM7 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.83 Å R-free 0.228 |
| 6NGL Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMA 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.83 Å R-free 0.228 |
| 6NGM Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMD 6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.69 Å R-free 0.217 |
| 6NGN Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KL4 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.241 |
| 6NGP Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KKY 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.98 Å R-free 0.248 |
| 6NGQ Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KLA 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.237 |
| 6NGR Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KLD 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.82 Å R-free 0.241 |
| 6NGS Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KL1 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.220 |
| 6NGT Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,6-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KL7 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.94 Å R-free 0.231 |
| 6NGU Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMJ 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.261 |
| 6NGV Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(3-(dimethylamino)propyl)-2,5,6-trifluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMM 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.83 Å R-free 0.223 |
| 6NGW Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(3-(dimethylamino)propyl)-2,3,4-trifluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMS 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.86 Å R-free 0.212 |
| 6NGX Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(2,3-difluoro-5-(3-(methylamino)prop-1-yn-1-yl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMV 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.77 Å R-free 0.211 |
| 6NGY Structure of rat neuronal nitric oxide synthase heme domain in complex with (R)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KN4 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.93 Å R-free 0.230 |
| 6NGZ Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KPJ 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.244 |
| 6NH0 Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(4-methylmorpholin-3-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KND 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.225 |
| 6NHD Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-6-(2,3-difluoro-5-(2-(1-methylazetidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KNV 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.10 Å R-free 0.260 |
| 6NHE Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2018-12-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KNS 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.232 |
| 6PMV Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M16 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.254 |
| 6PMW Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(4-(Aminomethyl)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OSY 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.75 Å R-free 0.245 |
| 6PMX Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OUG 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.05 Å R-free 0.268 |
| 6PMY Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OT4 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.247 |
| 6PMZ Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(5-(Aminomethyl)pyridin-3-yl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OUA 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.10 Å R-free 0.246 |
| 6PN0 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-ethoxyphenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OSJ 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.23 Å R-free 0.258 |
| 6PN1 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-propoxyphenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OSG 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.20 Å R-free 0.259 |
| 6PN2 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-isopropoxyphenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OSD 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.88 Å R-free 0.237 |
| 6PN3 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclobutylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OUP 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.217 |
| 6PN4 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OU1 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.262 |
| 6PN5 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-2-ylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OS7 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.70 Å R-free 0.227 |
| 6PN6 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(pyridin-3-ylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OUS 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.84 Å R-free 0.248 |
| 6PN7 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OUJ 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.88 Å R-free 0.250 |
| 6PN8 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(oxazol-4-ylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OU4 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.84 Å R-free 0.248 |
| 6PN9 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(3-(Aminomethyl)-4-(thiazol-5-ylmethoxy)phenyl)-4-methylquinolin-2-amine Deposited 2019-07-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 OU7 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.84 Å R-free 0.253 |
| 7S3X Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Deposited 2021-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 88H 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenyl]methoxy}-5,8-dihydroquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.244 |
| 7S3Y Structure ofrat neuronal nitric oxide synthase heme domain in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine Deposited 2021-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 V5G 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.08 Å R-free 0.234 |
| 7S3Z Structure of rat neuronal nitric oxide synthase heme domain in complex with N2-((3-((2-aminoquinolin-7-yl)methoxy)phenoxy)methyl)pyridine-2,6-diamine Deposited 2021-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 V0P 7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.73 Å R-free 0.235 |
| 7S40 Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-((3-((((6-aminopyridin-2-yl)methyl)amino)methyl)phenoxy)methyl)quinolin-2-amine Deposited 2021-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 V54 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.229 |
| 7TS9 Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 6-(3-(dimethylamino)propyl)-4-methylpyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KL0 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.278 |
| 7TSA Structure of rat neuronal nitric oxide synthase R349A/H692F mutant heme domain in complex with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A, H692F | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMI 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.03 Å R-free 0.297 |
| 7TSB Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with 4-methyl-6-(3-(methylamino)prop-1-yn-1-yl)pyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–717（421 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 K9C 4-methyl-6-[3-(methylamino)prop-1-yn-1-yl]pyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.82 Å R-free 0.247 |
| 7TSC Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 4-methyl-6-(3-(4-methylpiperazin-1-yl)propyl)pyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 KMR 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.253 |
| 7TSD Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 K7U 6-[3-(3,3-difluoroazetidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.77 Å R-free 0.272 |
| 7TSE Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)propyl)-4-methylpyridin-2-amine Deposited 2022-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 K8F 6-[3-(3,3-difluoroazetidin-1-yl)propyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.265 |
| 7TSF Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine Deposited 2022-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 K8O 6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.78 Å R-free 0.214 |
| 7UAN Structure of rat neuronal nitric oxide synthase R349A heme domain in complex with (6-(3-(4,4-difluoropiperidin-1-yl)propyl)-4-methylpyridin-2-amine) Deposited 2022-03-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 M5L 6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.70 Å R-free 0.257 |
| 8FG9 Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine Deposited 2022-12-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XVO 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.245 |
| 8FGA Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2022-12-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XVU 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.89 Å R-free 0.220 |
| 8FGB Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-6-methylpyrimidin-2-amine Deposited 2022-12-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 V80 4-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-6-methylpyrimidin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.91 Å R-free 0.241 |
| 8FGC Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-aminoethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2022-12-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XVZ 6-{2-[5-(2-aminoethyl)-2,3-difluorophenyl]ethyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.78 Å R-free 0.226 |
| 8FGD Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 6-(5-(2-(diethylamino)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Deposited 2022-12-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XVF 6-(2-{5-[2-(diethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.78 Å R-free 0.253 |
| 8FGE Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine dihydrochloride Deposited 2022-12-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XVA 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.89 Å R-free 0.248 |
| 8FGV Structure of rat neuronal nitric oxide synthase H692F mutant heme domain in complex with 6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)-4-methoxypyridin-2-amine Deposited 2022-12-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
Chain B
297–718（422 aa）
|
Mutation：H692F Mutation：H692F | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 XW5 6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)-4-methoxypyridin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.246 |
| 8T1J Uncrosslinked nNOS-CaM oxygenase homodimer Deposited 2023-06-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1429（1429 aa）
Chain B
1–1429（1429 aa）
|
Not recorded | ZN ZINC ION × 1 ARG ARGININE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.70 Å |
| 8T1K DSBU crosslinked nNOS-CaM oxygenase homodimer Deposited 2023-06-02 | Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–1429（1429 aa）
Chain B
1–1429（1429 aa）
|
Not recorded | ZN ZINC ION × 1 ARG ARGININE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.14 Å |
| 9CVI Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)phenyl)pyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 KMI 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.03 Å R-free 0.297 |
| 9CVJ Structure of rat nNOS R349A mutant heme domain bound with 4-methyl-6-(3-((methylamino)methyl)-5-(trifluoromethyl)phenyl)pyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 A1A0F (6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.79 Å R-free 0.263 |
| 9CVK Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(3-chloro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 A1A0G (6P)-6-{3-chloro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.90 Å R-free 0.274 |
| 9CVL Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(3-chloro-5-((dimethylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 A1A0N (6P)-6-{3-chloro-5-[(dimethylamino)methyl]phenyl}-4-methylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.92 Å R-free 0.299 |
| 9CVM Structure of rat neuronal nitric oxide synthase R349A mutant bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 A1A0E (2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.80 Å R-free 0.256 |
| 9CVN Structure of rat neuronal nitric oxide synthase bound with 6-(2,3-difluoro-5-((methylamino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1A0B (6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES,
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.256 |
| 9CVO Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(5-((dimethylamino)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ZN ZINC ION × 1 A1A0K (6M)-6-{5-[(dimethylamino)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.08 Å R-free 0.285 |
| 9CVP Structure of rat neuronal nitric oxide synthase R349A mutant bound with 6-(2,3-difluoro-5-(((2-fluoroethyl)amino)methyl)phenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ZN ZINC ION × 1 A1AZ9 (6M)-6-(2,3-difluoro-5-{[(2-fluoroethyl)amino]methyl}phenyl)-4-methylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.97 Å R-free 0.288 |
| 9CVQ Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(5-((3,3-difluoroazetidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 ZN ZINC ION × 1 A1A0D (6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.269 |
| 9CVR Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-(2,3-difluoro-5-(2-(methylamino)ethyl)phenyl)-4-methylpyridin-2-amine dihydrochloride Deposited 2024-07-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 A1A0C (6M)-6-{2,3-difluoro-5-[2-(methylamino)ethyl]phenyl}-4-methylpyridin-2-amine × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；278 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.87 Å R-free 0.260 |
| 9MWD Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(4-(2-((3-(furan-2-carboximidamido)benzyl)amino)ethyl)phenyl)furan-2-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BTY N-[3-({[2-(4-{[(E)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.94 Å R-free 0.259 |
| 9MWE Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(4-(2-((3-(furan-3-carboximidamido)benzyl)amino)ethyl)phenyl)furan-3-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 1 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 1 A1BT3 N-[3-({[2-(4-{[(E)-(furan-3-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-3-carboximidamide × 1 ACT ACETATE ION × 1 ZN ZINC ION × 1 XYL Xylitol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.04 Å R-free 0.263 |
| 9MWF Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(4-(2-((3-(isoxazole-3-carboximidamido)benzyl)amino)ethyl)phenyl)isoxazole-3-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BT0 N-[3-({[2-(4-{[(E)-imino(1,2-oxazol-3-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,2-oxazole-3-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 XYL Xylitol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.07 Å R-free 0.275 |
| 9MWG Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(4-(2-((3-(thiazole-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiazole-2-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BTV N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.89 Å R-free 0.243 |
| 9MWH Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(4-(2-((3-(thiazole-5-carboximidamido)benzyl)amino)ethyl)phenyl)thiazole-5-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BT5 N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.7；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.96 Å R-free 0.254 |
| 9MWI Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(3-(2-((3-(thiazole-5-carboximidamido)benzyl)amino)ethyl)phenyl)thiazole-5-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BTX N-[3-({[2-(3-{[(Z)-imino(1,3-thiazol-5-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-5-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.05 Å R-free 0.271 |
| 9MWJ Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(3-(2-((3-(furan-2-carboximidamido)benzyl)amino)ethyl)phenyl)furan-2-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BT6 N-[3-({[2-(3-{[(Z)-(furan-2-yl)(imino)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]furan-2-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.98 Å R-free 0.279 |
| 9MWK Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(3-(2-((3-(furan-2-carboximidamido)benzyl)amino)ethyl)phenyl)furan-2-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BT2 N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}furan-2-carboximidamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.00 Å R-free 0.255 |
| 9MWL Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(3-(((2-(3-(aminomethyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)methyl)phenyl)thiophene-2-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BT9 N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}thiophene-2-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.87 Å R-free 0.237 |
| 9MWM Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with N-(3-(((2-(3-(aminomethyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)methyl)phenyl)thiazole-5-carboximidamide Deposited 2025-01-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BTW N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}-1,3-thiazole-5-carboximidamide × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.95 Å R-free 0.243 |
| 9MYX Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 7-(3-aminomethyl)phenyl-6-fluoro-4-methylquinoin-2-amine Deposited 2025-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BUD (7P)-7-[3-(aminomethyl)phenyl]-6-fluoro-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.82 Å R-free 0.281 |
| 9MYY Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol Deposited 2025-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BUF (2M)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(aminomethyl)phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.83 Å R-free 0.257 |
| 9MYZ Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol Deposited 2025-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1BUH (2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.92 Å R-free 0.261 |
| 9MZ0 Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound 7-(3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl)-6-fluoro-4-methylquinolin-2-amine Deposited 2025-01-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1BU3 (7P)-7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-6-fluoro-4-methylquinolin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.94 Å R-free 0.274 |
| 9Q4P Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(dimethylamino)ethyl)-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1CN2 6-({5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.25 Å R-free 0.280 |
| 9Q4Q Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(methylamino)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 A1CN3 6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.01 Å R-free 0.285 |
| 9Q4R Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(diethylamino)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 2 A1COA 6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.93 Å R-free 0.274 |
| 9Q4S Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 2 A1CN5 6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.15 Å R-free 0.294 |
| 9Q4T Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1CN6 6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.85 Å R-free 0.284 |
| 9Q4U Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1CN7 6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.92 Å R-free 0.272 |
| 9Q4V Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 2 A1COK 6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 2.14 Å R-free 0.284 |
| 9Q4W Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)methyl)-4-methylpyridin-2-amine Deposited 2025-08-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1CN9 6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1M MES
0.14-0.20M AMMONIUM ACETATE,
10% ETHYLENE GLYCOL,
30uM SDS, 5 mM GSH
|
Resolution 1.93 Å R-free 0.272 |
| 9Q61 Structure of rat neuronal nitric oxide synthase R349A mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine Deposited 2025-08-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
297–718（422 aa）
|
Mutation：R349A | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A1CN4 6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.8；277 K；20-24% PEG3350, 0.1 M MES, 0.14-0.20 M ammonium acetate, 10% ethylene glycol, 30 uM SDS, 5 mM GSH
|
Resolution 2.13 Å R-free 0.273 |
348 other PDB entries and 351 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | NOS3_BOVIN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 1–444； UniProt 39–482 Author chain B； PDBConstruct 1–444； UniProt 39–482 |
