Brand  (β version)

PDB ID: 3JT4

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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
JM8 N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3JT4   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[(3-(ethylsulfanyl)propanimidoyl]-L-ornithine
Release Data : 2010-01-12
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
Source :
mol_id organism_scientific organism_common expression_system
1 Rattus norvegicus  (taxid:10116) Brown rat,rat,rats Escherichia coli  (taxid:562)
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, heme-thiolate enzyme, substrate-analogue inhibitor, thioether heme ligand, Alternative splicing, Calmodulin-binding, Cell membrane, Cell projection, FAD, FMN, Heme, Iron, Membrane, Metal-binding, NADP, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.80 Å )
Citation :

Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.

Martell, J.D.,Li, H.,Doukov, T.  et al.
(2010)  J.Am.Chem.Soc.  132 : 798 - 806

PubMed: 20014790
DOI: 10.1021/ja908544f

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