Brand  (β version)

PDB ID: 4EUX

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HW1 6-[5-({(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine PoSSuM
ACT Acetate ion PoSSuM
ZN Zinc ion PoSSuM
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Structure summary

Code : 4EUX   PDBj   RCSB PDB   PDBe
Header : oxidoreductase/oxidoreductase inhibitor
Title : Structure of neuronal nitric oxide synthase heme domain in complex with 6-(5-(((3R,4R)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)oxy)pentyl)-4-methylpyridin-2-amine
Release Data : 2012-07-11
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: unp residues 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat 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, inhibitor binding, oxidoreductase-oxidoreductase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.14 Å )
Citation :

Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.

Huang, H.,Ji, H.,Li, H.  et al.
(2012)  J.Am.Chem.Soc.  134 : 11559 - 11572

PubMed: 22731813
DOI: 10.1021/ja302269r

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