Brand  (β version)

PDB ID: 3NLE

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
CAD Cacodylic acid PoSSuM
GOL Glycerol PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
JRR 6-{[(3r,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 : 3NLE   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of endothelial nitric oxide synthase heme domain complexed with 6-{{(3'R,4'R)-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, endothelial A,B Endothelial NOS, eNOS, EC-NOS, NOS type III, NOSIII, Constitutive NOS, cNOS
ec: 1.14.13.39
fragment: UNP RESIDUES 39-482
Source :
mol_id organism_scientific organism_common expression_system
1 Bos taurus  (taxid:9913) Bovine,cow,domestic cattle,domestic cow Escherichia coli  (taxid:469008)
gene: NOS3
expression_system_strain: BL21 (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pCWori
Authors : Ji, H., Delker, S.L., Li, H., Martasek, P., Roman, L., Poulos, T.L., Silverman, R.B.
Keywords : nitric oxide synthase, heme enzyme, substrate inhibitor, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.95 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 : P29473 (NOS3_BOVIN)
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 UniProtKB:P29474
left-to-right
Cofactor: Evidence: Note:
heme b ECO:0000269 | PubMed:11051558
ECO:0000269 | PubMed:9875848
-
FAD ECO:0000250 | UniProtKB:P29476
Binds 1 FAD.
FMN ECO:0000250 | UniProtKB:P35228
Binds 1 FMN.
(6R)-L-erythro-5,6,7,8-tetrahydrobiopterin ECO:0000269 | PubMed:11051558
ECO:0000269 | PubMed:11331003
ECO:0000269 | PubMed:9875848
Tetrahydrobiopterin (BH4). May stabilize the dimeric form of the enzyme.