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1vaf

Inducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477

Method: X-RAY DIFFRACTION Dmax: 122.3 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Nitric oxide synthase, inducible

Mus musculus

UniProt P29477

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 77–495 Fragment：Inducible Nitric Oxide Synthase Oxygenase Domain (residues 77-495) ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARR N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, SODIUM-MALONATE, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.90 Å R-free 0.262
2 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 77–495 Fragment：Inducible Nitric Oxide Synthase Oxygenase Domain (residues 77-495) ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARR N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, SODIUM-MALONATE, EPPS, NACL, GLYCEROL, H4B, beta-MERCAPTOETHANOL, AR-R17477, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.90 Å R-free 0.262

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 1VAF Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1DD7 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX Deposited 1999-11-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN 114-498
Not recorded SO3 SULFITE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 1PM methyl (3S)-3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；298 K；Crystals of murine delta114 iNOS were prepared in the presence of imidazole following the procedures of Crane et al. (reference 1) as follows: The 6 uL crystallization drops contained 20 mg/ml murine delta114 iNOS, 20 mM HEPES pH 7.6, 5 % glycerol, 0.5 mM DTT, 6.8 % PEG-3350, 60 mM Na2SO3, and 50 mM imidazole/malate buffer pH 4.7 were placed over a 1 ml reservoir containing 13.6 % PEG-3350, 120 mM Na2SO3, and 100 mM imidazole/malate buffer pH 4.7. These crystals were soaked for 25 hours in 5 uM N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]- 4-(methoxycarbonyl)-piperazine-2-acetamide, 14 % PEG-3350, 1 mM NaN3, 50 mM MES pH 6.5 and 50 mM Na2SO3. The crystals were then rinsed in 33 % ethylene glycol, 9.3% PEG-3350, 0.7 mM NaN3, 33 mM MES pH 6.5 and 33 mM Na2SO3, and flash frozen in liquid nitrogen. , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.284
1DF1 MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE Deposited 1999-11-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–499（423 aa）
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；LI2SO4, BOG, MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP
Resolution 2.35 Å R-free 0.298
1DF1 MURINE INOSOXY DIMER WITH ISOTHIOUREA BOUND IN THE ACTIVE SITE Deposited 1999-11-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–499（423 aa）
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ITU ETHYLISOTHIOUREA × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；LI2SO4, BOG, MES, pH 5.3, VAPOR DIFFUSION, HANGING DROP
Resolution 2.35 Å R-free 0.298
1DWV MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin 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 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 4AB 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.35 Å R-free 0.286
1DWV MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin Deposited 1999-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 4AB 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.35 Å R-free 0.286
1DWW MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin 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 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.35 Å R-free 0.288
1DWW MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin Deposited 1999-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H2B 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE × 2 ZN ZINC ION × 2 SO4 SULFATE ION × 8 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.35 Å R-free 0.288
1DWX MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin 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 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.60 Å R-free 0.278
1DWX MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin Deposited 1999-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–496（420 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 HAR N-OMEGA-HYDROXY-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.00
Resolution 2.60 Å R-free 0.278
1JWJ Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 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 66–498（433 aa） Fragment：Oxygenase Domain 65-498
Mutation：YES BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；Ammonium sulfate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.257
1JWJ Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：Oxygenase Domain 65-498
Mutation：YES BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 GOL GLYCEROL × 12 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；Ammonium sulfate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.257
1JWK Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 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 66–498（433 aa） Fragment：Oxygenase domain 66-498
Mutation：YES BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Ammonium sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.244
1JWK Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457A Mutation at Tetrahydrobiopterin Binding Site Deposited 2001-09-04 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：Oxygenase domain 66-498
Mutation：YES BOG octyl beta-D-glucopyranoside × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Ammonium sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.244
1M8D inducible nitric oxide synthase with Chlorzoxazone bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 65–498（434 aa） Fragment：Oxygenase domain
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CLW CHLORZOXAZONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.35 Å R-free 0.268
1M8D inducible nitric oxide synthase with Chlorzoxazone bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 65–498（434 aa） Fragment：Oxygenase domain
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 CLW CHLORZOXAZONE × 2 BOG octyl beta-D-glucopyranoside × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.35 Å R-free 0.268
1M8E inducible nitric oxide synthase with 7-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7NI 7-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.280
1M8E inducible nitric oxide synthase with 7-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 7NI 7-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.90 Å R-free 0.280
1M8H inducible nitric oxide synthase with 6-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 65–498（434 aa） Fragment：oxygenase domain
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6NI 6-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.85 Å R-free 0.294
1M8H inducible nitric oxide synthase with 6-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 6NI 6-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.85 Å R-free 0.294
1M8I inducible nitric oxide synthase with 5-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5NI 5-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.283
1M8I inducible nitric oxide synthase with 5-nitroindazole bound Deposited 2002-07-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 5NI 5-NITROINDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.283
1M9T Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound Deposited 2002-09-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 INE 3-BROMO-7-NITROINDAZOLE × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.284
1M9T Inducible Nitric Oxide Synthase with 3-Bromo-7-Nitroindazole bound Deposited 2002-09-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 65–498（434 aa） Fragment：oxygenase domain
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 INE 3-BROMO-7-NITROINDAZOLE × 2 BOG octyl beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Lithium Sulfate, B-octyl-glucodise, MES buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.284
1N2N Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. Deposited 2002-10-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–495（419 aa） Fragment：oxygenase domain
Not recorded CYN CYANIDE ION × 2 ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；EPPS, NaCl, glycerol, H4B, beta-mercaptoethanol, beta-octylglycoside, L-Arg, Mes, dithioerithrol, Na-malonate, KCN, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.243
1N2N Crystal structure of cyanide complex of the oxygenase domain of inducible nitric oxide synthase. Deposited 2002-10-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–495（419 aa） Fragment：oxygenase domain
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 ARG ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；EPPS, NaCl, glycerol, H4B, beta-mercaptoethanol, beta-octylglycoside, L-Arg, Mes, dithioerithrol, Na-malonate, KCN, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.243
1NOC MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) COMPLEXED WITH TYPE I E. COLI CHLORAMPHENICOL ACETYL TRANSFERASE AND IMIDAZOLE Deposited 1997-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 115–498（384 aa） Fragment：OXYGENASE DOMAIN 115-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 3 IMD IMIDAZOLE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.257
1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 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 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Chain B 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded SO4 SULFATE ION × 1 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.288
1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded SO4 SULFATE ION × 2 ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.288
1NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE Deposited 1998-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded ARG ARGININE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.288
1NOS MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX Deposited 1997-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 115–498（384 aa） Fragment：OXYGENASE DOMAIN 115-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.10 Å R-free 0.261
1QOM MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK Deposited 1999-11-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–498（422 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；pH 6.00
Resolution 2.70 Å R-free 0.306
1QOM MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK Deposited 1999-11-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–498（422 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；pH 6.00
Resolution 2.70 Å R-free 0.306
1QW4 Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine. Deposited 2003-08-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–495（419 aa） Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.251
1QW4 Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in complex with N-omega-propyl-L-arginine. Deposited 2003-08-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–495（419 aa） Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 3AR N-OMEGA-PROPYL-L-ARGININE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, N-omega-propyl-L-Arg., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.40 Å R-free 0.251
1QW5 Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. Deposited 2003-08-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–495（419 aa） Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium-malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, W1400., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.264
1QW5 Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor. Deposited 2003-08-31 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–495（419 aa） Fragment：inducible nitric oxide synthase oxygenase domain (residues 77-495)
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 14W N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；MES, sodium-malonate, EPPS, NaCl, glycerol, H4B, β-mercaptoethanol, W1400., pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.70 Å R-free 0.264
1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 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 66–498（433 aa） Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
Chain B 66–498（433 aa） Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
Not recorded SO4 SULFATE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.285
1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.285
1R35 MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER, TETRAHYDROBIOPTERIN AND 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE Deposited 2003-09-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：OXYGENASE DOMAIN (RESIDUES 66-498)
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 I58 4R-FLUORO-N6-ETHANIMIDOYL-L-LYSINE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å R-free 0.285
2BHJ murine iNO synthase with coumarin inhibitor Deposited 2005-01-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–498（422 aa） Fragment：RESIDUES 77-498, OXYGENASE DOMAIN
Not recorded FC1 THIOCOUMARIN × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；1.7 M AMMONIUM SULFATE - 50 MM HEPES PH 7 - 5 MM TCEP - 40 MM N-OCTYL BD-GLUCOPYRANOSIDE
Resolution 3.20 Å R-free 0.323
2NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER Deposited 1998-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.289
2NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND WATER BOUND IN ACTIVE CENTER Deposited 1998-03-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.60 Å R-free 0.289
2NOS MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), AMINOGUANIDINE COMPLEX Deposited 1997-09-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 115–498（384 aa） Fragment：OXYGENASE DOMAIN 115-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 IMD IMIDAZOLE × 1 AGU AMINOGUANIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.30 Å R-free 0.267
2ORO Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex Deposited 2007-02-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 114-498
Not recorded SO3 SULFITE ION × 1 HEM PROTOPORPHYRIN IX CONTAINING FE × 1 228 N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 1) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM (R)-1-(2-Imidazol-1-yl-6- methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3., pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 2.00 Å R-free 0.244
2ORP Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex Deposited 2007-02-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 114-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 1 R86 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 1) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 2-[4-(2-Imidazol-1-yl-6- methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N- [2-(4-methoxy-phenyl)-ethyl]-acetamide, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 1.97 Å R-free 0.252
2ORQ Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex Deposited 2007-02-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN 114-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 MSR 4-(1H-IMIDAZOL-1-YL)PHENOL × 2 MR1 1-(1,3-BENZODIOXOL-5-YL)METHANAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN ?? UM 4-(imidazol-1-yl)phenol and ?? UM piperonylamine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 2.10 Å R-free 0.243
2ORR Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex Deposited 2007-02-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN 114-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 333 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE × 2 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 4-(Benzo[1,3]dioxol-5-yloxy)- 2-(4-imidazol-1-yl-phenoxy)-pyrimidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 2.00 Å R-free 0.252
2ORS Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex Deposited 2007-02-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN 114-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 391 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE × 2 EDO 1,2-ETHANEDIOL × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 3) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 4-(Benzo[1,3]dioxol-5-yloxy)- 2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 2.00 Å R-free 0.237
2ORT Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex Deposited 2007-02-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 114–498（385 aa） Fragment：OXYGENASE DOMAIN 114-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 342 (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；308 K；CRYSTALS OF MURINE DELTA114 INOS WERE PREPARED IN THE PRESENCE OF IMIDAZOLE FOLLOWING THE PROCEDURES OF CRANE ET AL. (REFERENCE 4) AS FOLLOWS: THE 6 UL CRYSTALLIZATION DROPS CONTAINED 20 MG/ML MURINE DELTA114 INOS, 20 MM HEPES PH 7.6, 5 % GLYCEROL, 0.5 MM DTT, 6.8 % PEG-3350, 60 MM NA2SO3, AND 50 MM IMIDAZOLE/ MALATE BUFFER PH 4.7 WERE PLACED OVER A 1 ML RESERVOIR CONTAINING 13.6 % PEG-3350, 120 MM NA2SO3, AND 100 MM IMIDAZOLE/MALATE BUFFER PH 4.7. THESE CRYSTALS WERE SOAKED FOR 25 HOURS IN 5 UM 1-Benzo[1,3]dioxol-5-ylmethyl- 3-(4-imidazol-1-yl-phenoxy)-piperidine, 14 % PEG-3350, 1 MM NAN3, 50 MM MES PH 6.5 AND 50 MM NA2SO3. THE, pH 4.70, VAPOR DIFFUSION, HANGING DROP, temperature 308K
Resolution 1.87 Å R-free 0.240
2Y37 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2010-12-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 66-498
Not recorded SO4 SULFATE ION × 4 GOL GLYCEROL × 2 A54 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；pH 6.4
Resolution 2.60 Å R-free 0.242
2Y37 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2010-12-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：OXYGENASE DOMAIN, RESIDUES 66-498
Not recorded SO4 SULFATE ION × 2 GOL GLYCEROL × 2 A54 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；pH 6.4
Resolution 2.60 Å R-free 0.242
3DWJ Heme-proximal W188H mutant of inducible nitric oxide synthase Deposited 2008-07-22 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 66–496（431 aa） Fragment：OXYGENASE DOMAIN 66-496
Mutation：W188H SO4 SULFATE ION × 2 NH4 AMMONIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.3；277 K；0.7-1.2M (NH4)2SO4, 0.1M MES, pH 4.9-5.7, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.75 Å R-free 0.294
3DWJ Heme-proximal W188H mutant of inducible nitric oxide synthase Deposited 2008-07-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–496（431 aa） Fragment：OXYGENASE DOMAIN 66-496
Mutation：W188H NH4 AMMONIUM ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.3；277 K；0.7-1.2M (NH4)2SO4, 0.1M MES, pH 4.9-5.7, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.75 Å R-free 0.294
3E65 Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：oxygenase domain (UNP residues 77-496)
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XXZ 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 MM MES, 5% BOG, 25% LI2SO4, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.05 Å R-free 0.271
3E65 Murine INOS dimer with HEME, pterin and inhibitor AR-C120011 Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：oxygenase domain (UNP residues 77-496)
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 XXZ 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-4'-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 MM MES, 5% BOG, 25% LI2SO4, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.05 Å R-free 0.271
3E67 Murine inos dimer with inhibitor 4-MAP bound Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：oxygenase domain (UNP residues 77-496)
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BVF 4-METHYLPYRIDIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 5.3, 25% LITHIUM SULFATE, 5% B-OCTYL-GLUCODISE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.268
3E67 Murine inos dimer with inhibitor 4-MAP bound Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：oxygenase domain (UNP residues 77-496)
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 BVF 4-METHYLPYRIDIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；50 mM MES pH 5.3, 25% LITHIUM SULFATE, 5% B-OCTYL-GLUCODISE, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.60 Å R-free 0.268
3E68 Structure of murine INOS oxygenase domain with inhibitor AR-C130232 Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 6 AT6 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.275
3E68 Structure of murine INOS oxygenase domain with inhibitor AR-C130232 Deposited 2008-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 4 AT6 N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å R-free 0.275
3E6L Structure of murine INOS oxygenase domain with inhibitor AR-C132283 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 12 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A11 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；lithium sulfate, hepes, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.244
3E6L Structure of murine INOS oxygenase domain with inhibitor AR-C132283 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded BOG octyl beta-D-glucopyranoside × 2 SO4 SULFATE ION × 6 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A11 ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；lithium sulfate, hepes, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.30 Å R-free 0.244
3E6N Structure of murine INOS oxygenase domain with inhibitor AR-C125813 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AS3 4-METHYL-6-PROPYLPYRIDIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.270
3E6N Structure of murine INOS oxygenase domain with inhibitor AR-C125813 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AS3 4-METHYL-6-PROPYLPYRIDIN-2-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.270
3E6O Structure of murine INOS oxygenase domain with inhibitor AR-C124355 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A55 N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；Lithium sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, temperature 277K
Resolution 2.60 Å R-free 0.262
3E6O Structure of murine INOS oxygenase domain with inhibitor AR-C124355 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 A55 N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6；277 K；Lithium sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, temperature 277K
Resolution 2.60 Å R-free 0.262
3E6T Structure of murine INOS oxygenase domain with inhibitor AR-C118901 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1A2 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.267
3E6T Structure of murine INOS oxygenase domain with inhibitor AR-C118901 Deposited 2008-08-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 1A2 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；Lithium Sulfate, MES, BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.267
3E7I Structure of murine inos oxygenase domain with inhibitor AR-C94864 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded SO4 SULFATE ION × 2 ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 B2 (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.90 Å R-free 0.295
3E7I Structure of murine inos oxygenase domain with inhibitor AR-C94864 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 B2 (2R)-5-FLUORO-2-(2-THIENYL)-1,2-DIHYDROQUINAZOLIN-4-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.90 Å R-free 0.295
3E7M Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.237
3E7M Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded ZN ZINC ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.237
3E7T Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 B14 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.60 Å R-free 0.263
3E7T Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 Deposited 2008-08-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 HBI 7,8-DIHYDROBIOPTERIN × 2 B14 1-(6-CYANO-3-PYRIDYLCARBONYL)-5',8'-DIFLUOROSPIRO[PIPERIDINE-4,2'(1'H)-QUINAZOLINE]-4'-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K
Resolution 2.60 Å R-free 0.263
3EAI Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å
3EAI Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 328 4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.20 Å
3EBD Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 329 (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.248
3EBD Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 329 (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.40 Å R-free 0.248
3EBF Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 332 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.29 Å R-free 0.242
3EBF Structure of inhibited murine iNOS oxygenase domain Deposited 2008-08-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa）
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 332 (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.29 Å R-free 0.242
3GOF Calmodulin bound to peptide from macrophage nitric oxide synthase Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 503–518（16 aa） Fragment：Calcium binding domain
Not recorded CA CALCIUM ION × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；298 K；0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 20% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.45 Å R-free 0.208
3GOF Calmodulin bound to peptide from macrophage nitric oxide synthase Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 503–518（16 aa） Fragment：Calcium binding domain
Not recorded CA CALCIUM ION × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；298 K；0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4.6, 20% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 1.45 Å R-free 0.208
3NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE Deposited 1998-03-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded SO4 SULFATE ION × 2 HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SCI L-THIOCITRULLINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.70 Å R-free 0.286
3NOD MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND PRODUCT ANALOGUE L-THIOCITRULLINE Deposited 1998-03-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–499（423 aa） Fragment：OXYGENASE DOMAIN 65-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SCI L-THIOCITRULLINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.70 Å R-free 0.286
3NQS Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin Deposited 2010-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NO NITRIC OXIDE × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 GOL GLYCEROL × 2 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；278 K；25% Li2SO4, 5% BOG, 50 mM MES, 50 mM CysNO, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.20 Å R-free 0.229
3NQS Crystal Structure of Inducible Nitric Oxide Synthase with N-Nitrosated-pterin Deposited 2010-06-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–498（433 aa） Fragment：UNP residues 66-498
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 NO NITRIC OXIDE × 2 AT2 ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE × 2 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 4 BOG octyl beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；278 K；25% Li2SO4, 5% BOG, 50 mM MES, 50 mM CysNO, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.20 Å R-free 0.229
3NW2 Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights Deposited 2010-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 77–499（423 aa） Fragment：RESIDUES 77-499
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1M ammonium sulfate, 33.3mM Mes buffer pH 6.0, 6.7mM DTT, 6.7mM BH4, 5% beta-octyl glycoside, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.323
3NW2 Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights Deposited 2010-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 77–499（423 aa） Fragment：RESIDUES 77-499
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 MPW 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；1M ammonium sulfate, 33.3mM Mes buffer pH 6.0, 6.7mM DTT, 6.7mM BH4, 5% beta-octyl glycoside, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.80 Å R-free 0.323
4JS9 Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme Deposited 2013-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 66–496（431 aa） Fragment：OXYGENASE DOMAIN 66-496
Not recorded MH0 Mesoheme × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；3.5% octyl-glucoside, 20% glycerol, 0.7M ammonium sulfate, 0.1M 2-(N-morpholino)ethanesulfonic acid, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
Resolution 2.78 Å R-free 0.290
4JS9 Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme Deposited 2013-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 66–496（431 aa） Fragment：OXYGENASE DOMAIN 66-496
Not recorded MH0 Mesoheme × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.3；277 K；3.5% octyl-glucoside, 20% glycerol, 0.7M ammonium sulfate, 0.1M 2-(N-morpholino)ethanesulfonic acid, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
Resolution 2.78 Å R-free 0.290
4UX6 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) Deposited 2014-08-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 77–100（24 aa） Fragment：OXYGENASE DOMAIN, UNP RESIDUES 77-100
Chain B 108–496（389 aa） Fragment：UNP RESIDUES 108-496
Not recorded HEM PROTOPORPHYRIN IX CONTAINING FE × 2 H4B 5,6,7,8-TETRAHYDROBIOPTERIN × 2 YWO O-(5-methyl-2-nitrophenyl)-D-tyrosinamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；pH 6.4
Resolution 3.00 Å

50 other PDB entries and 90 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NOS2_MOUSE
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–419； UniProt 77–495 Author chain B； PDBConstruct 1–419； UniProt 77–495

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1vaf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1vaf
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1vaf
Deposition date deposition_date2004-02-16
Structure title titleInducible nitric oxide synthase oxygenase domain complexed with the inhibitor AR-R17477
Keywords keywordsMURINE INOSOXY INHIBITOR COMPLEX, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier37.64 Å
Radius of gyration Rg (electron density) rg_electron37.40 Å
Forward intensity I(0) i0148280000.00
Molecular weight molecular_weight99419.0 kDa
Excluded volume excluded_volume124440 ų
Envelope volume envelope_volume161670 ų
Hydration-shell volume shell_volume36479 ų
Envelope diameter envelope_diameter123.9 Å
Shell Rg shell_rg42.60 Å
Envelope Rg envelope_rg36.95 Å
Shape Rg shape_rg37.38 Å
Total Rg total_rg37.81 Å
Total atoms total_atoms7002
Residues n_residues838
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax122.3 Å
Rg (real space) rg_real38.94 Å
Rg uncertainty (real space) rg_real_error0.42 Å
I(0) (real space) i0_real1.4720e+08
I(0) uncertainty (real space) i0_real_error2.1890e+06
Rg (reciprocal space) rg_reciprocal37.72 Å
I(0) (reciprocal space) i0_reciprocal148300000.0000
Solution quality estimate total_estimate0.6460
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary29.1 Å
Skewness Skewness skewness0.379
Kurtosis Kurtosis kurtosis-0.693
Angular range angular_range— – 0.2100 Å−1
Current regularization parameter α current_alpha3.1240
Highest regularization parameter α highest_alpha22590000.0000
Real-space data points n_real_points43
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.813; Stabil: 0.928; Sysdev: 0.000; Positv: 1.000; Valcen: 0.819; Smooth: 0.387
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1vafa_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.174 — Nitric oxide (NO) synthase oxygenase domain
Superfamily Superfamily superfamilyd.174.1 — Nitric oxide (NO) synthase oxygenase domain
Family Family familyd.174.1.1 — Nitric oxide (NO) synthase oxygenase domain
Domain ID domain_idd1vafb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.174 — Nitric oxide (NO) synthase oxygenase domain
Superfamily Superfamily superfamilyd.174.1 — Nitric oxide (NO) synthase oxygenase domain
Family Family familyd.174.1.1 — Nitric oxide (NO) synthase oxygenase domain

CATH v4.4 (6 domains)

Domain ID domain_id1vafA01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology340 — Nitric Oxide Synthase; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase; Chain A, domain 1
Domain ID domain_id1vafA02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology440 — Nitric Oxide Synthase;Heme Domain; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase;Heme Domain;Chain A domain 2
Domain ID domain_id1vafA03
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1230 — Bovine Endothelial Nitric Oxide Synthase Heme Domain; Chain: A,domain 3
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase; Chain A, domain 3
Domain ID domain_id1vafB01
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology340 — Nitric Oxide Synthase; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase; Chain A, domain 1
Domain ID domain_id1vafB02
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology440 — Nitric Oxide Synthase;Heme Domain; Chain A, domain 2
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase;Heme Domain;Chain A domain 2
Domain ID domain_id1vafB03
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology1230 — Bovine Endothelial Nitric Oxide Synthase Heme Domain; Chain: A,domain 3
Homologous superfamily homologous superfamily10 — Nitric Oxide Synthase; Chain A, domain 3
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8. Citations (1)

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9. Files and Curves (10)