Brand  (β version)

PDB ID: 3DQT

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

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
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

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:
H(+) + 2 L-arginine + 3 NADPH + 4 O2 = 4 H2O + 2 L-citrulline + 3 NADP(+) + 2 nitric oxide 1.14.13.39 UniProtKB:P29474
left-to-right