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PDBsum entry 3n6c

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase/oxidoreductase inhibitor PDB id
3n6c

 

 

 

 

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JSmol PyMol  
Contents
Protein chains
404 a.a. *
Ligands
HEM ×2
H4B ×2
ACT ×3
GOL ×2
CAD ×2
XFM ×2
Metals
_ZN
Waters ×26
* Residue conservation analysis
PDB id:
3n6c
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Structure of endothelial nitric oxide synthase h373s single mutant heme domain complexed with 4-(2-(6-(2-(6-amino-4-methylpyridin-2-yl) ethyl)pyridin-2-yl)ethyl)-6-methylpyridin-2-amine
Structure: Nitric oxide synthase. Chain: a, b. Synonym: endothelial nos, enos, ec-nos, nos type iii, nosiii, constitutive nos, cnos. Engineered: yes
Source: Bos taurus. Cow. Organism_taxid: 9913. Gene: nos3. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
3.06Å     R-factor:   0.238     R-free:   0.332
Authors: S.L.Delker,H.Li,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
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 1 from Rattus norvegicus
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1429 a.a.
404 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 126 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.1.14.13.39  - nitric-oxide synthase (NADPH).
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: 2 L-arginine + 3 NADPH + 4 O2 + H+ = 2 L-citrulline + 2 nitric oxide + 3 NADP+ + 4 H2O
2 × L-arginine
+ 3 × NADPH
+ 4 × O2
+ H(+)
= 2 × L-citrulline
+ 2 × nitric oxide
+ 3 × NADP(+)
+ 4 × H2O
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    reference    
 
 
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.

 

 

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