Brand  (β version)

PDB ID: 3DQT

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Ligands
Code Name Style Show Link
ACT Acetate ion PoSSuM
CAC Cacodylate ion PoSSuM
GOL Glycerol PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
JI7 N-{(3r,4s)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3DQT   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
Release Data : 2009-03-31
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 67-482
Source :
mol_id organism_scientific organism_common expression_system
1 Bos taurus  (taxid:9913) Bovine Escherichia coli  (taxid:562)
gene: NOS3
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, Blood coagulation, Calmodulin-binding, Cytoskeleton, FAD, FMN, Golgi apparatus, Heme, Iron, Lipoprotein, Membrane, Metal-binding, Myristate, NADP, Oxidoreductase, Palmitate, Phosphoprotein
Exp. method : X-RAY DIFFRACTION ( 2.54 Å )
Citation :

Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.

Igarashi, J.,Li, H.,Jamal, J.  et al.
(2009)  J.Med.Chem.  52 : 2060 - 2066

PubMed: 19296678
DOI: 10.1021/jm900007a

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.