Brand  (β version)

PDB ID: 5VV4

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Ligands
Code Name Style Show Link
9P7 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile 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 : 5VV4   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/INHIBITOR
Title : Structure of human neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile
Release Data : 2017-08-23
Compound :
mol_id molecule chains synonym
1 Nitric oxide synthase, brain A,B Constitutive NOS,NC-NOS,NOS type I,Neuronal NOS,nNOS,Peptidyl-cysteine S-nitrosylase NOS1,bNOS
ec: 1.14.13.39
fragment: UNP residues 302-722
mutation: R354A, G357D
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human ESCHERICHIA COLI  (taxid:469008)
organ: brain
gene: NOS1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Huiying, L., Thomas, L.P.
Keywords : nitric oxide synthase, inhibitor complex, heme enzyme, OXIDOREDUCTASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.100 Å )
Citation :

Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.

Pensa, A.V.,Cinelli, M.A.,Li, H.  et al.
(2017)  J. Med. Chem.  60 : 7146 - 7165

PubMed: 28776992
DOI: 10.1021/acs.jmedchem.7b00835

Reaction

Chain : A, B
UniProt : P29475 (NOS1_HUMAN)
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:35772285
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