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PDBsum entry 4a7g

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase PDB id
4a7g
Jmol
Contents
Protein chain
153 a.a.
Ligands
SO4 ×5
12I ×3
ACT
Metals
_CU ×2
_ZN ×2
Waters ×393
PDB id:
4a7g
Name: Oxidoreductase
Title: Structure of human i113t sod1 mutant complexed with 4- methylpiperazin-1-yl)quinazoline in the p21 space group.
Structure: Superoxide dismutase [cu-zn]. Chain: a. Synonym: superoxide dismutase-1, superoxide dismutase 1, hs engineered: yes. Mutation: yes. Superoxide dismutase [cu-zn]. Chain: f. Synonym: superoxide dismutase-1, superoxide dismutase 1, hs engineered: yes.
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.24Å     R-factor:   0.140     R-free:   0.175
Authors: G.S.A.Wright,N.M.Kershaw,R.Sharma,S.V.Antonyuk,R.W.Strange,N P.M.Oneil,S.S.Hasnain
Key ref: N.M.Kershaw et al. (2013). X-ray crystallography and computational docking for the detection and development of protein-ligand interactions. Curr Med Chem, 20, 569-575. PubMed id: 23278398
Date:
14-Nov-11     Release date:   24-Oct-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P00441  (SODC_HUMAN) -  Superoxide dismutase [Cu-Zn]
Seq:
Struc:
154 a.a.
153 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.1.15.1.1  - Superoxide dismutase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: 2 superoxide + 2 H+ = O2 + H2O2
2 × superoxide
+ 2 × H(+)
= O(2)
+ H(2)O(2)
      Cofactor: Fe cation or Mn(2+) or (Zn(2+) and Cu cation)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   17 terms 
  Biological process     reactive oxygen species metabolic process   60 terms 
  Biochemical function     antioxidant activity     12 terms  

 

 
    Added reference    
 
 
Curr Med Chem 20:569-575 (2013)
PubMed id: 23278398  
 
 
X-ray crystallography and computational docking for the detection and development of protein-ligand interactions.
N.M.Kershaw, G.S.Wright, R.Sharma, S.V.Antonyuk, R.W.Strange, N.G.Berry, P.M.O'Neill, S.S.Hasnain.
 
  ABSTRACT  
 
No abstract given.