Nitric oxide synthase, endothelial
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 | Fragment：Residues 39-482 | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG 3350, magnesium acetate, sodium cacodylate, TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K | Resolution 2.24 Å R-free 0.217 |
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 3JWY | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1D0C BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B FREE) Deposited 1999-09-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 INE 3-BROMO-7-NITROINDAZOLE × 4 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESSIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280.0K
|
Resolution 1.65 Å R-free 0.259 |
| 1D0O BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 3-BROMO-7-NITROINDAZOLE (H4B PRESENT) Deposited 1999-09-13 | Different construct Different ligand/ion Different experimental conditions 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 | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 INE 3-BROMO-7-NITROINDAZOLE × 4 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE,
MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.95 Å R-free 0.247 |
| 1D1V BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH S-ETHYL-N-PHENYL-ISOTHIOUREA (H4B BOUND) Deposited 1999-09-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 PTU 2-ETHYL-1-PHENYL-ISOTHIOUREA × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.93 Å R-free 0.219 |
| 1D1W BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND) Deposited 1999-09-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ATQ 2-AMINOTHIAZOLINE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE THE CHEMICAL, S-AMINOETHYL-ISOTHIOUREA,
ADDED TO THE CRYSTALLIZATION BUFFER UNDERGOES A SPONTANEOUS REARRANGEMENT TO
FORM 2-AMINOTHIAZOLINE., pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.250 |
| 1D1X BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND) Deposited 1999-09-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 4BT 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE,
MAGNESIUM ACETATE , pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.254 |
| 1D1Y BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,3-PBITU (H4B FREE) Deposited 1999-09-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | ACT ACETATE ION × 4 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 3BT 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA × 2 EDO 1,2-ETHANEDIOL × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.20 Å R-free 0.268 |
| 1DM6 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N-(4-CHLOROPHENYL)-N'-HYDROXYGUANIDINE (H4B FREE) Deposited 1999-12-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 PH3 N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.95 Å R-free 0.255 |
| 1DM7 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH HOMOARGININE (H4B FREE) Deposited 1999-12-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HRG L-HOMOARGININE × 2 GOL GLYCEROL × 5 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.10 Å R-free 0.273 |
| 1DM8 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,2,4-TRIAZOLE-CARBOXAMIDINE (H4B BOUND) Deposited 1999-12-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 TZC 1,2,4-TRIAZOLE-CARBOXAMIDINE × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.25 Å R-free 0.239 |
| 1DMI BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 6S-H4B Deposited 1999-12-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 BHS 6S-5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.264 |
| 1DMJ BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE Deposited 1999-12-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 AP4 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE × 2 ITU ETHYLISOTHIOUREA × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.35 Å R-free 0.228 |
| 1DMK BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE Deposited 1999-12-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 7 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 AP6 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE × 2 ITU ETHYLISOTHIOUREA × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, CACODYLATE, MAGNESIUM ACETATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.264 |
| 1ED4 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE) Deposited 2000-01-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
Chain B
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 IPU S-ISOPROPYL-ISOTHIOUREA × 4 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.86 Å R-free 0.235 |
| 1ED5 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE) Deposited 2000-01-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
Chain B
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
|
Not recorded | ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NRG N-OMEGA-NITRO-L-ARGININE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.80 Å R-free 0.238 |
| 1ED6 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-NIO (H4B FREE) Deposited 2000-01-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
Chain B
1–444（444 aa）
Fragment：HEME DOMAIN (RESIDUES 39-482)
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ILO N5-IMINOETHYL-L-ORNITHINE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.05 Å R-free 0.275 |
| 1FOI BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1400W(H4B-FREE) Deposited 2000-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Chain B
38–481（444 aa）
|
Not recorded | ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 1.93 Å R-free 0.251 |
| 1FOJ BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT) Deposited 2000-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Chain B
38–481（444 aa）
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 7NI 7-NITROINDAZOLE × 2 7I2 7-NITROINDAZOLE-2-CARBOXAMIDINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.10 Å R-free 0.259 |
| 1FOL REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE) Deposited 2000-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Chain B
38–481（444 aa）
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ARG ARGININE × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.20 Å R-free 0.265 |
| 1FOO BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-FREE) Deposited 2000-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Chain B
38–481（444 aa）
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NO NITRIC OXIDE × 2 ARG ARGININE × 2 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.00 Å R-free 0.253 |
| 1FOP BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-BOUND) Deposited 2000-08-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Chain B
38–481（444 aa）
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NO NITRIC OXIDE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K
|
Resolution 2.30 Å R-free 0.277 |
| 1I83 BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE) Deposited 2001-03-12 | 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
37–480（444 aa）
Fragment：HEME DOMAIN
Chain B
37–480（444 aa）
Fragment：HEME DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 3 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 NTU N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE × 2 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG3350, cacodylate, MgSO4, pH 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.00 Å R-free 0.248 |
| 1NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE Deposited 1998-05-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Fragment：HEME DOMAIN
Chain B
38–481（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 5 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.90 Å R-free 0.278 |
| 1P6L Bovine endothelial 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
66–482（417 aa）
Fragment：NOS HEME DOMAIN
Chain B
66–482（417 aa）
Fragment：NOS HEME DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 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 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；280 K；PEG3350, MgOAc, Na Cacodylate, TCEP, pH 6.9, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.35 Å R-free 0.272 |
| 1P6M Bovine endothelial 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
66–482（417 aa）
Fragment：NOS HEME DOMAIN
Chain B
66–482（417 aa）
Fragment：NOS HEME DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.7；280 K；PEG3350, MgOAc, Na Cacodylate, TCEP, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.27 Å R-free 0.278 |
| 1P6N Bovine endothelial 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
66–482（417 aa）
Fragment：NOS HEME DOMAIN
Chain B
66–482（417 aa）
Fragment：NOS HEME DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 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 ZN ZINC ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.7；280 K；PEG 3350, MgOAc, Na Cacodylate, TCEP, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.50 Å R-free 0.278 |
| 1Q2O Bovine endothelial nitric oxide synthase N368D mutant heme domain dimer with L-N(omega)-nitroarginine-2,4-L-diaminobutyramide bound Deposited 2003-07-25 | 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
66–481（416 aa）
Fragment：heme domain of enos enzyme
Chain B
66–481（416 aa）
Fragment：heme domain of enos enzyme
|
Mutation：N368D Mutation：N368D | CAC CACODYLATE ION × 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 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；280 K；15% PEG 3350, 200 mM MgOAc, 100 mM Na Cacodylate, 5 mM TCEP, 2 mM imidazole, 3.5 mM L-N(omega)-nitroarginine-L-2,4-diaminobutyramide, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.74 Å R-free 0.220 |
| 1RS8 Bovine endothelial 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
66–481（416 aa）
Fragment：heme domain
Chain B
66–481（416 aa）
Fragment：heme domain
|
Not recorded | CAC CACODYLATE ION × 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 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 3350, MgOAc, Na Cacodylate, TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.30 Å R-free 0.276 |
| 1RS9 Bovine endothelial 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
66–481（416 aa）
Fragment：heme domain
Chain B
66–481（416 aa）
Fragment：heme domain
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 D7P D-phenylalanyl-N~5~-(N-nitrocarbamimidoyl)-D-ornithinamide × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG 3350, MgOAc, Na Cacodylate, TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.22 Å R-free 0.264 |
| 1ZZS Bovine eNOS N368D single 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
66–481（416 aa）
Chain B
66–481（416 aa）
|
Mutation：N368D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N368D Non-standard monomer：Yes (specific site not provided by mmCIF) | ACT ACETATE ION × 3 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 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG3350, sodium cacodylate, magnesium acetate, TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.85 Å R-free 0.211 |
| 1ZZT Bovine eNOS N368D/V106M 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
66–481（416 aa）
Chain B
66–481（416 aa）
|
Mutation：N368D/V106M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：N368D/V106M Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 6.7；280 K；15% PEG3350, 0.1 M sodium cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 2.14 Å R-free 0.233 |
| 2G6O Structure of bovine eNOS heme domain (BH4-free) 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
66–481（416 aa）
Chain B
66–481（416 aa）
|
Not recorded | ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ARG ARGININE × 2 CMO CARBON MONOXIDE × 2 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG3350, cacodylate
magnessium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.90 Å R-free 0.240 |
| 2HX2 Bovine eNOS 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
66–481（416 aa）
Fragment：residues 66-481
Chain B
66–481（416 aa）
Fragment：residues 66-481
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 4 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 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；280 K；PEG3350, cacodylate
Mg acetate, TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K
|
Resolution 1.95 Å R-free 0.213 |
| 2NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX Deposited 1998-08-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Fragment：HEME DOMAIN
Chain B
38–481（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | CAC CACODYLATE ION × 2 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.34 Å R-free 0.305 |
| 3DQS Structure of endothelial 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 2008-07-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–482（416 aa）
Fragment：UNP residues 67-482
Chain B
67–482（416 aa）
Fragment：UNP residues 67-482
|
Not recorded | CAC CACODYLATE ION × 2 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 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG3350, Cacodylate, magnesium acetate
TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.03 Å R-free 0.227 |
| 3DQT Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine Deposited 2008-07-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–482（416 aa）
Fragment：UNP residues 67-482
Chain B
67–482（416 aa）
Fragment：UNP residues 67-482
|
Not recorded | CAC CACODYLATE ION × 2 ACT ACETATE ION × 2 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG3350, Cacodylate, magnesium acetate
TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.54 Å R-free 0.258 |
| 3E7S Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 Deposited 2008-08-18 | 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
56–486（431 aa）
Chain B
56–486（431 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | ZN ZINC ION × 1 HEC HEME C × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；MAGNESIUM ACETATE, SODIUM CACODYLATE, TCEP, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.254 |
| 3JWW Structure of endothelial nitric oxide synthase 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 ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：Residues 39-482
Chain B
39–482（444 aa）
Fragment：Residues 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 1 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG 3350, magnesium acetate, sodium cacodylate, TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.20 Å R-free 0.284 |
| 3JWX Structure of endothelial nitric oxide synthase 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 ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：Residues 39-482
Chain B
39–482（444 aa）
Fragment：Residues 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG 3350, magnesium acetate, sodium cacodylate, TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.00 Å R-free 0.218 |
| 3JWZ Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,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 ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：Residues 39-482
Chain B
39–482（444 aa）
Fragment：Residues 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；PEG 3350, magnesium acetate, sodium cacodylate, TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.40 Å R-free 0.228 |
| 3N5P Structure of endothelial nitric oxide synthase heme domain complexed 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
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 3 XFM 6-(2-{6-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-2-yl}ethyl)-4-methylpyridin-2-amine × 2 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ZN ZINC ION × 2 |
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 2.39 Å R-free 0.260 |
| 3N5Q Structure of endothelial nitric oxide synthase 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 construct Different ligand/ion Different experimental conditions 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 CAD CACODYLIC ACID × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 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 2.90 Å R-free 0.269 |
| 3N5R Structure of endothelial nitric oxide synthase heme domain complexed 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
39–482（444 aa）
Chain B
39–482（444 aa）
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 3 GOL GLYCEROL × 2 CAD CACODYLIC ACID × 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 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 2.57 Å R-free 0.244 |
| 3N5S Structure of endothelial nitric oxide synthase 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 construct Different ligand/ion Different experimental conditions 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 XFK 6-(2-{5-[2-(2-amino-6-methylpyridin-4-yl)ethyl]pyridin-3-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 2.18 Å R-free 0.220 |
| 3N5T Structure of endothelial nitric oxide synthase 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 construct Different ligand/ion Different experimental conditions 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 XFJ 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 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 2.52 Å R-free 0.248 |
| 3NLD Structure of endothelial nitric oxide synthase heme domain complexed 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 JSS 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-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 6.50, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.29 Å R-free 0.292 |
| 3NLE Structure of endothelial nitric oxide synthase 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 CAD CACODYLIC ACID × 2 JRR 6-{[(3R,4R)-4-(2-{[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 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 1.95 Å R-free 0.206 |
| 3NLF Structure of endothelial nitric oxide synthase heme domain complexed 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 JRS 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-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 2.32 Å R-free 0.224 |
| 3NLG Structure of endothelial nitric oxide synthase heme domain complexed 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 ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 JSR 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-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 2.38 Å R-free 0.231 |
| 3NLH Structure of endothelial nitric oxide synthase heme domain N368D mutant complexed 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
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Mutation：N368D Mutation：N368D | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 JSS 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-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 2.10 Å R-free 0.211 |
| 3NLI Structure of endothelial nitric oxide synthase N368D 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
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Mutation：N368D Mutation：N368D | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 JRR 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-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 1.98 Å R-free 0.203 |
| 3NLT Structure of endothelial nitric oxide synthase 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 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
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；10-12% PEG 3350, 0.2M magnesium acetate, 01M sodium cacodylate, 0.005M TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.74 Å R-free 0.262 |
| 3NLU Structure of endothelial nitric oxide synthase 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 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
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
Chain B
39–482（444 aa）
Fragment：UNP RESIDUES 39-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 1 GOL GLYCEROL × 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 CAD CACODYLIC ACID × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；278 K；10-12% PEG 3350, 0.2M magnesium acetate, 01M sodium cacodylate, 0.005M TCEP-HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.65 Å R-free 0.254 |
| 3NSE BOVINE ENOS, H4B-FREE, SEITU COMPLEX Deposited 1998-09-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Fragment：HEME DOMAIN
Chain B
38–481（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 CAC CACODYLATE ION × 2 ARG ARGININE × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ITU ETHYLISOTHIOUREA × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.10 Å R-free 0.252 |
| 3PNH Structure of Bovine Endothelial 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
67–482（416 aa）
Fragment：UNP residues 67-482
Chain B
67–482（416 aa）
Fragment：UNP residues 67-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 CAD CACODYLIC ACID × 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 6.5；277 K；12-16% PEG3350, 0.1M Cacodylate, 0.1M Mg acetate, 5mM TCEP, 2mM imidazole, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.93 Å R-free 0.204 |
| 3RQO Structure of the endothelial 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
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Not recorded | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X2D 6-{[(3R,4R)-4-(2-{[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 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；12-14% PEG3350, 0.1M Cacodylate, 0.2M magnesium acetate, 5mM TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.08 Å R-free 0.221 |
| 3RQP Structure of the endothelial 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
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
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 GOL GLYCEROL × 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；12-14% PEG3350, 0.1M Cacodylate, 0.2M magnesium acetate, 5mM TCEP, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.35 Å R-free 0.228 |
| 4C3A Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；18-20% PEG3350, 0.1 M CACODYLATE, 200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.20 Å R-free 0.212 |
| 4CAR Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)methyl)quinolin-2-amine Deposited 2013-10-08 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；18-22% PEG3350 0.1M CACODYLATE PH 6.0, 200 MM MG ACETATE, 5 MM TCEP
|
Resolution 2.05 Å R-free 0.198 |
| 4CFT Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine Deposited 2013-11-19 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；18-20% PEG3350, 0.1M CACODYLATE, PH 6.0, 200 MM MG ACETATE, 5 MM TCEP
|
Resolution 1.79 Å R-free 0.192 |
| 4CTY Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.30 Å R-free 0.219 |
| 4CTZ Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.01 Å R-free 0.205 |
| 4CU0 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.08 Å R-free 0.214 |
| 4CU1 Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-[(2S)-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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 1.89 Å R-free 0.205 |
| 4CUL Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one Deposited 2014-03-20 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 WSD 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one × 2 ACT ACETATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.25；18-20% PEG3350, 250MM MAGNESIUM ACETATE, 100MM CACODYLATE PH 6.25 AND 5MM TCEP
|
Resolution 2.23 Å R-free 0.209 |
| 4CUM Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one Deposited 2014-03-20 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 WS7 (9aS)-2-amino-9a-methyl-6,7,8,9,9a,10-hexahydrobenzo[g]pteridin-4(3H)-one × 2 ACT ACETATE ION × 3 ZN ZINC ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.25；18-20% PEG3350, 250MM MAGNESIUM ACETATE, 100MM CACODYLATE PH 6.25 AND 5MM TCEP
|
Resolution 2.33 Å R-free 0.227 |
| 4CUN Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione Deposited 2014-03-20 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 WS6 (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione × 2 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.25；18-20% PEG3350, 250MM MAGNESIUM ACETATE, 100MM CACODYLATE PH 6.25 AND 5MM TCEP
|
Resolution 2.48 Å R-free 0.242 |
| 4CVG Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one. Deposited 2014-03-25 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ACT ACETATE ION × 2 ZN ZINC ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.25；18-20% PEG3350, 250MM MAGNESIUM ACETATE, 100MM CACODYLATE PH 6.25 AND 5MM TCEP
|
Resolution 2.31 Å R-free 0.214 |
| 4CWV Structure of bovine endothelial 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 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 6；20-22% PEG3350 0.1M CACODYLATE, PH 6.0 150-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.34 Å R-free 0.224 |
| 4CWW Structure of bovine endothelial 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 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH 6.0 150-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.16 Å R-free 0.212 |
| 4CWY Structure of bovine endothelial 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 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH 6.0 150-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.15 Å R-free 0.204 |
| 4CWZ Structure of bovine endothelial nitric oxide synthase Y477A 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1M CACODYLATE PH 6.0, 150-200 MM MG ACETATE, 5 MM TCEP
|
Resolution 2.08 Å R-free 0.197 |
| 4CX0 Structure of bovine endothelial nitric oxide synthase Y477A 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1M CACODYLATE PH 6.0, 150-200 MM MG ACETATE, 5 MM TCEP
|
Resolution 2.20 Å R-free 0.203 |
| 4CX1 Structure of bovine endothelial nitric oxide synthase L111A 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 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 × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1M CACODYLATE, PH 6.0, 150-200 MM MG ACETATE, 5 MM TCEP
|
Resolution 2.13 Å R-free 0.214 |
| 4CX2 Structure of bovine endothelial 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 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 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 × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1M CACODYLATE PH 6.0, 150-200 MM MG ACETATE, 5 MM TCEP
|
Resolution 2.04 Å R-free 0.201 |
| 4D33 Structure of bovine endothelial 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
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 MTL D-MANNITOL × 2 GOL GLYCEROL × 2 BME BETA-MERCAPTOETHANOL × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.09 Å R-free 0.209 |
| 4D34 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.25 Å R-free 0.231 |
| 4D35 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.18 Å R-free 0.240 |
| 4D36 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.05 Å R-free 0.214 |
| 4D37 Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl) pyrimidin-4-yl]ethanamine Deposited 2014-10-20 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.10 Å R-free 0.229 |
| 4D38 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.30 Å R-free 0.230 |
| 4D39 Structure of bovine endothelial nitric oxide synthase heme domain in complex with2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(3-cyanobenzyl) ethan-1-amine Deposited 2014-10-20 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 MTL D-MANNITOL × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.00 Å R-free 0.222 |
| 4D3A Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350, 0.1 M CACODYLATE, 150-200 MM MG ACETATE, 5 MM TCEP, pH 6.0
|
Resolution 2.25 Å R-free 0.210 |
| 4JSK Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 QJ2 6,6'-pentane-1,5-diylbis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 200 mM magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.28 Å R-free 0.258 |
| 4JSL Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 200 mM magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.04 Å R-free 0.208 |
| 4JSM Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 QJ7 6-({[5-({[2-(3-fluorophenyl)ethyl]amino}methyl)pyridin-3-yl]oxy}methyl)-4-methylpyridin-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 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 200 mM magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.25 Å R-free 0.244 |
| 4K5H Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1Q6 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine) × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.25 Å R-free 0.206 |
| 4K5I Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.08 Å R-free 0.208 |
| 4K5J Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 Q14 6-[({(2S)-1-amino-4-[(6-amino-4-methylpyridin-2-yl)methoxy]butan-2-yl}oxy)methyl]-4-methylpyridin-2-amine × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.36 Å R-free 0.214 |
| 4K5K Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.00 Å R-free 0.217 |
| 4KCP Structure of bovine endotheial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.07 Å R-free 0.213 |
| 4KCQ Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 2 1QF N-(4-{2-[ethyl(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.03 Å R-free 0.224 |
| 4KCR Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5H3 N-[3-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]thiophene-2-carboximidamide × 2 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.09 Å R-free 0.205 |
| 4KCS Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
Chain B
40–482（443 aa）
Fragment：heme domain (UNP residues 40-482)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 ACT ACETATE ION × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；18-22% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.05 Å R-free 0.213 |
| 4LUW Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
41–482（442 aa）
Fragment：UNP residues 41-482
Chain B
41–482（442 aa）
Fragment：UNP residues 41-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；278 K；18-20% PEG3350, 0.1 M cacodylate, 0.2 M magnesium acetate, 5 mM TCEP, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 278K
|
Resolution 2.25 Å R-free 0.233 |
| 4NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX Deposited 1998-10-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
38–481（444 aa）
Fragment：HEME DOMAIN
Chain B
38–481（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 CAC CACODYLATE ION × 2 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GOL GLYCEROL × 3 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.95 Å R-free 0.260 |
| 4UH7 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 3 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.23 Å R-free 0.211 |
| 4UH8 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.8；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP, pH 5.8
|
Resolution 2.30 Å R-free 0.217 |
| 4UH9 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 3 ACT ACETATE ION × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.14 Å R-free 0.227 |
| 4UHA Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.20 Å R-free 0.240 |
| 4UPQ Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.03 Å R-free 0.209 |
| 4UPR Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 1.93 Å R-free 0.207 |
| 4UPS Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 1.95 Å R-free 0.213 |
| 4UPT structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.20 Å R-free 0.236 |
| 5ADJ Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.22 Å R-free 0.210 |
| 5ADK Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Dimethylamino)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
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 1.80 Å R-free 0.193 |
| 5ADL Structure of bovine endothelial nitric oxide synthase 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
40–482（443 aa）
Fragment：HEME DOMAIN
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.21 Å R-free 0.206 |
| 5ADM Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)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
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.20 Å R-free 0.206 |
| 5ADN Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, UNP RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.00 Å R-free 0.203 |
| 5FJ2 Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE Deposited 2015-10-06 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.05 Å R-free 0.221 |
| 5FJ3 Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((4-CHLORO-3-((METHYLAMINO)METHYL) PHENOXY)METHYL)QUINOLIN-2-AMINE in the absence of acetate Deposited 2015-10-06 | 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
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, 140-200 MM MG ACETATE 5 MM TCEP, pH 6.0
|
Resolution 2.20 Å R-free 0.230 |
| 5FVY Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.10 Å R-free 0.213 |
| 5FVZ Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
Chain B
40–482（443 aa）
Fragment：HEME DOMAIN, RESIDUES 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6；20-22% PEG3350 0.1M CACODYLATE, PH6.0 140-200 MM MG ACETATE 5 MM TCEP
|
Resolution 2.05 Å R-free 0.211 |
| 5NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, HYDROXY-ARG COMPLEX Deposited 1999-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 1.90 Å R-free 0.243 |
| 5UOD Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 8EY 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350,0.1 M cacodylate,140-200 mM Mg acetate,5 mM TCEP
|
Resolution 2.01 Å R-free 0.211 |
| 5VV6 Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)phenethyl)amino)methyl)quinolin-2-amine Deposited 2017-05-19 | 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
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 BME BETA-MERCAPTOETHANOL × 1 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.00 Å R-free 0.220 |
| 5VV7 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.20 Å R-free 0.234 |
| 5VV8 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 CAD CACODYLIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.15 Å R-free 0.208 |
| 5VV9 Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.50 Å R-free 0.256 |
| 5VVA Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 9OJ 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile × 2 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.55 Å R-free 0.254 |
| 5VVG Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 GOL GLYCEROL × 2 CL CHLORIDE ION × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.30 Å R-free 0.215 |
| 5VVN Structure of bovine endothelial 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 mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
40–482（443 aa）
Fragment：UNP residues 40-482
Chain B
40–482（443 aa）
Fragment：UNP residues 40-482
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | 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 × 4 GOL GLYCEROL × 2 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；20-24% PEG3350, 0.1 M cacodylate, 140-200 mM magnesium acetate, 5 mM TCEP
|
Resolution 2.40 Å R-free 0.234 |
| 6NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, CANAVANINE COMPLEX Deposited 1999-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 GGB L-CANAVANINE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.35 Å R-free 0.272 |
| 7NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, ADMA COMPLEX Deposited 1999-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 DA2 NG,NG-DIMETHYL-L-ARGININE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 4 ZN ZINC ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.35 Å R-free 0.276 |
| 8NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, NNA COMPLEX Deposited 1999-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NRG N-OMEGA-NITRO-L-ARGININE × 2 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.25 Å R-free 0.276 |
| 9NSE BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, ETHYL-ISOSELENOUREA COMPLEX Deposited 1999-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
39–482（444 aa）
Fragment：HEME DOMAIN
Chain B
39–482（444 aa）
Fragment：HEME DOMAIN
|
Not recorded | ACT ACETATE ION × 4 ZN ZINC ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ISU SE-ETHYL-ISOSELENOUREA × 3 CAD CACODYLIC ACID × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；pH 6.5
|
Resolution 2.24 Å R-free 0.254 |
125 other PDB entries and 125 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 |
