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1fol

REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)

Method: X-RAY DIFFRACTION Dmax: 94.8 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

NITRIC-OXIDE SYNTHASE

Bos taurus

UniProt P29473

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 38–481 Chain B； UniProt 38–481 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

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 1FOL 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 ligand/ion 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 ligand/ion 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
1FOO BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-FREE) Deposited 2000-08-28 Different ligand/ion 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 ligand/ion 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 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：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 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：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
3JWY Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride Deposited 2009-09-18 Different construct Different 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：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 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
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 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：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 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 38–481 Author chain B； PDBConstruct 1–444； UniProt 38–481

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 1fol

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1fol
Deposition date deposition_date2000-08-28
Structure title titleREDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
Keywords keywordsalpha-beta fold, NITRIC OXIDE SYNTHASE, 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_guinier29.97 Å
Radius of gyration Rg (electron density) rg_electron29.07 Å
Forward intensity I(0) i0147194000.00
Molecular weight molecular_weight95698.0 kDa
Excluded volume excluded_volume119370 ų
Envelope volume envelope_volume144030 ų
Hydration-shell volume shell_volume40728 ų
Envelope diameter envelope_diameter94.5 Å
Shell Rg shell_rg37.11 Å
Envelope Rg envelope_rg29.09 Å
Shape Rg shape_rg29.09 Å
Total Rg total_rg29.71 Å
Total atoms total_atoms6736
Residues n_residues830
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 dmax94.8 Å
Rg (real space) rg_real29.90 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_error1.9200e+06
Rg (reciprocal space) rg_reciprocal29.93 Å
I(0) (reciprocal space) i0_reciprocal147200000.0000
Solution quality estimate total_estimate0.6825
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary34.0 Å
Skewness Skewness skewness0.275
Kurtosis Kurtosis kurtosis-0.514
Angular range angular_range— – 0.2650 Å−1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha41880000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 0.050; Positv: 1.000; Valcen: 1.000; Smooth: 0.974
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1fola_
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_idd1folb_
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_id1folA01
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_id1folA02
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_id1folA03
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_id1folB01
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_id1folB02
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_id1folB03
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 (3)

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9. Files and Curves (10)