Brand  (β version)

PDB ID: 3B3M

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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
JI1 3-({(3s,4s)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3B3M   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
Release Data : 2008-07-15
Compound :
mol_id molecule chains synonym
1 Nitric-oxide synthase A,B NOS type I, Neuronal NOS, N-NOS, nNOS, Constitutive NOS, NC-NOS, BNOS
ec: 1.14.13.39
fragment: residues 297-718
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus Rat Escherichia coli
expression_system_strain: BL21(DE3)
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 ( 1.95 Å )
Citation :

Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.

Ji, H.,Stanton, B.Z.,Igarashi, J.  et al.
(2008)  J.Am.Chem.Soc.  130 : 3900 - 3914

PubMed: 18321097
DOI: 10.1021/ja0772041

Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors

Ji, H.,Stanton, B.Z.,Igarashi, J.  et al.
To be Published 

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