Brand  (β version)

PDB ID: 3B3O

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
JI3 N-{(3s,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(4-chlorobenzyl)ethane-1,2-diamine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3B3O   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of neuronal 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
Release Data : 2008-11-04
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
ec: 1.14.13.39
fragment: residues 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli BL21(DE3)  (taxid:469008)
gene: Nos1, Bnos
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Igarashi, J., Li, H., Poulos, T.L.
Keywords : nitric oxide synthase, heme enzyme, inhibitor, Alternative splicing, Calmodulin-binding, Cell projection, FAD, FMN, Iron, Membrane, Metal-binding, NADP, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.

Igarashi, J.,Li, H.,Jamal, J.  et al.
(2009)  J.Med.Chem.  52 : 2060 - 2066

PubMed: 19296678
DOI: 10.1021/jm900007a

Selective Neuronal Nitric Oxide Synthase Inhibitors for Prevention of Cerebral Palsy

Ji, H.,Igarashi, J.,Li, H.  et al.
(2007)  Nature  In Press

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