Brand  (β version)

PDB ID: 4D37

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Ligands
Code Name Style Show Link
9HL N-{[(1r,2r)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1h-imidazol-1-yl)pyrimidin-4-yl]ethanamine PoSSuM
ACT Acetate ion PoSSuM
GOL Glycerol PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
Code Name Show
CAS S-(dimethylarsenic)cysteine
Glycosylation
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Structure summary

Code : 4D37   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : 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
Release Data : 2014-12-24
Compound :
mol_id molecule chains synonym
1 NITRIC OXIDE SYNTHASE, ENDOTHELIAL A,B CONSTITUTIVE NOS, CNOS, EC-NOS, ENDOTHELIAL NOS, ENOS, NOS TYPE III, NOSIII, ENDOTHELIAL NITRIC OXIDE SYNTHASE
ec: 1.14.13.39
fragment: HEME DOMAIN, UNP RESIDUES 40-482
Source :
mol_id organism_scientific organism_common expression_system
1 BOS TAURUS  (taxid:9913) CATTLE ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_vector_type: PLASMID
expression_system_vector: PCWORI
Authors : Li, H., Poulos, T.L.
Keywords : OXIDOREDUCTASE, NITRIC OXIDE SYNTHASE, INHIBITOR COMPLEX
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.

Mukherjee, P.,Li, H.,Sevrioukova, I.  et al.
(2015)  J.Med.Chem.  58 : 1067

PubMed: 25489882
DOI: 10.1021/JM501719E

Reaction

Chain : A, B
UniProt : P29473 (NOS3_BOVIN)
Reaction: EC: Evidence:
Physiological Direction:
H(+) + 2 L-arginine + 3 NADPH + 4 O2 = 4 H2O + 2 L-citrulline + 3 NADP(+) + 2 nitric oxide 1.14.13.39 UniProtKB:P29474
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