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PDBsum entry 4a7q

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protein ligands metals Protein-protein interface(s) links
Oxidoreductase PDB id
4a7q
Jmol
Contents
Protein chain
153 a.a.
Ligands
4MQ ×2
SO4 ×6
Metals
_ZN ×2
_CU ×2
Waters ×489
PDB id:
4a7q
Name: Oxidoreductase
Title: Structure of human i113t sod1 mutant complexed with 4-(4- methyl-1,4-diazepan-1-yl)quinazoline in the p21 space group.
Structure: Superoxide dismutase [cu-zn]. Chain: a, f. Synonym: superoxide dismutase-1, superoxide dismutase 1, hs engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.22Å     R-factor:   0.126     R-free:   0.159
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 1 residue position (black cross)

 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: Iron or manganese or (zinc and copper)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular region   15 terms 
  Biological process     reactive oxygen species metabolic process   62 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.