Brand  (β version)

PDB ID: 3JX1

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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
JI5 N-{(3r,4r)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 3JX1   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
Release Data : 2010-05-05
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: Residues 297-718
mutation: D597N
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Rat Escherichia coli  (taxid:562)
gene: Nos1, Bnos
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Delker, S.L., Li, H., Poulos, T.L.
Keywords : heme enzyme, substrate inhibitor, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.

Delker, S.L.,Ji, H.,Li, H.  et al.
(2010)  J.Am.Chem.Soc.  132 : 5437 - 5442

PubMed: 20337441
DOI: 10.1021/ja910228a

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.