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PDBsum entry 3n66

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
3n66
Jmol
Contents
Protein chains
407 a.a. *
Ligands
HEM ×2
XFN ×2
ACT ×2
MTL
Metals
_ZN ×3
_CL ×4
Waters ×451
* Residue conservation analysis
PDB id:
3n66
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Structure of neuronal nitric oxide synthase s602h mutant hem in complex with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethan diyl))bis(4-methylpyridin-2-amine)
Structure: Nitric oxide synthase. Chain: a, b. Synonym: endothelial nos, enos, ec-nos, nos type iii, nosii constitutive nos, cnos. Engineered: yes. Mutation: yes
Source: Rattus norvegicus. Rat. Organism_taxid: 10116. Gene: nos3. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
1.78Å     R-factor:   0.184     R-free:   0.216
Authors: H.Li,S.L.Delker,T.L.Poulos
Key ref: S.L.Delker et al. (2010). Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . Biochemistry, 49, 10803-10810. PubMed id: 21138269 DOI: 10.1021/bi1013479
Date:
25-May-10     Release date:   09-Feb-11    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P29476  (NOS1_RAT) -  Nitric oxide synthase, brain
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1429 a.a.
407 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: E.C.1.14.13.39  - Nitric-oxide synthase (Nadph dependent).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: 2 L-arginine + 3 NADPH + 4 O2 = 2 L-citrulline + 2 nitric oxide + 3 NADP+ + 4 H2O
2 × L-arginine
+ 3 × NADPH
+ 4 × O(2)
= 2 × L-citrulline
+ 2 × nitric oxide
+ 3 × NADP(+)
+ 4 × H(2)O
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     oxidation-reduction process   2 terms 
  Biochemical function     nitric-oxide synthase activity     1 term  

 

 
    reference    
 
 
DOI no: 10.1021/bi1013479 Biochemistry 49:10803-10810 (2010)
PubMed id: 21138269  
 
 
Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
S.L.Delker, F.Xue, H.Li, J.Jamal, R.B.Silverman, T.L.Poulos.
 
  ABSTRACT  
 
No abstract given.