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Ligands
Code Name Style Show Link
ACT Acetate ion
H4B 5,6,7,8-tetrahydrobiopterin
HEM Protoporphyrin ix containing Fe
JK5 6-{[(3r,4r)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine
ZN Zinc ion
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Code : 3SVP   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Release Data : 2011-09-28
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: sequence database residues 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Brown rat,rat,rats Escherichia coli  (taxid:469008)
gene: Nos1, Bnos
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Li, H., Poulos, T.L.
Keywords : nitric oxide synthase, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.05 Å )
Citation :

Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.

Xue, F.,Kraus, J.M.,Labby, K.J.  et al.
(2011)  J.Med.Chem.  54 : 6399 - 6403

PubMed: 21809851
DOI: 10.1021/jm200411j

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