Brand  (β version)

PDB ID: 3NLR

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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
JRS 6-{[(3s,4r)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3NLR   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'S)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine
Release Data : 2010-11-03
Compound :
mol_id molecule chains synonym
1 Nitric oxide synthase, brain A,B BNOS, NOS type I, Neuronal NOS, N-NOS, nNOS, Constitutive NOS, NC-NOS
ec: 1.14.13.39
fragment: UNP RESIDUES 297-718
mutation: D597N, M336V
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., Delker, S.L., Poulos, T.L.
Keywords : nitric oxide synthase, inhibitor, heme enzyme, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.10 Å )
Citation :

Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.

Ji, H.,Delker, S.L.,Li, H.  et al.
(2010)  J.Med.Chem.  53 : 7804 - 7824

PubMed: 20958055
DOI: 10.1021/jm100947x

Reaction

Chain : A, B
UniProt : P29476 (NOS1_RAT)
Reaction: EC: Evidence:
Physiological Direction:
2 L-arginine + 3 NADPH + 4 O2 + H(+) = 2 L-citrulline + 2 nitric oxide + 3 NADP(+) + 4 H2O 1.14.13.39 PubMed:15548660, PubMed:1712077
left-to-right PubMed:1712077
Cofactor: Evidence: Note:
heme b ECO:0000250 | UniProtKB:P29475
-
FAD ECO:0000269 | PubMed:11473123
ECO:0000269 | PubMed:15208315
Binds 1 FAD.
FMN ECO:0000269 | PubMed:15208315
Binds 1 FMN.
(6R)-L-erythro-5,6,7,8-tetrahydrobiopterin ECO:0000250 | UniProtKB:P29475
Tetrahydrobiopterin (BH4). May stabilize the dimeric form of the enzyme.