Brand  (β version)

PDB ID: 3JWZ

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
CAD Cacodylic acid PoSSuM
GOL Glycerol PoSSuM
H4B 5,6,7,8-tetrahydrobiopterin PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
J14 N-{(3s,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
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3JWZ   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3' S,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Release Data : 2010-05-05
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: Residues 39-482
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 : Delker, S.L., Li, H., Poulos, T.L.
Keywords : heme enzyme, substrate inhibitor, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 2.40 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 : 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