Brand  (β version)

PDB ID: 4V3Z

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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
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 4V3Z   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine
Release Data : 2014-12-24
Compound :
mol_id molecule chains synonym
1 NITRIC OXIDE SYNTHASE, BRAIN A,B BNOS, CONSTITUTIVE NOS, NC-NOS, NOS TYPE I, NEURONAL NOS, N-NOS, NNOS, PEPTIDYL-CYSTEINE S-NITROSYLASE NOS1, NEURONAL NITRIC OXIDE SYNTHASE
ec: 1.14.13.39
fragment: HEME DOMAIN, UNP RESIDUES 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 RATTUS NORVEGICUS  (taxid:10116) NORWAY RAT 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 ( 2.052 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 : P29476 (NOS1_RAT)
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 PubMed:15548660, PubMed:1712077
left-to-right PubMed:1712077