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PDBsum entry 3dd3

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protein ligands Protein-protein interface(s) links
Transferase PDB id
3dd3
Jmol
Contents
Protein chain
210 a.a. *
Ligands
MES ×2
RUC
GSH ×2
Waters ×74
* Residue conservation analysis
PDB id:
3dd3
Name: Transferase
Title: Crystal structure of the glutathione transferase pi enzyme i with the bifunctional inhibitor, etharapta
Structure: Glutathione s-transferase p. Chain: a, b. Synonym: gst class-pi, gstp1-1, glutathione transferase pi. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: gstp1. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.25Å     R-factor:   0.200     R-free:   0.260
Authors: L.J.Parker
Key ref: W.H.Ang et al. (2009). Rational design of an organometallic glutathione transferase inhibitor. Angew Chem Int Ed Engl, 48, 3854-3857. PubMed id: 19396894
Date:
05-Jun-08     Release date:   21-Apr-09    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P09211  (GSTP1_HUMAN) -  Glutathione S-transferase P
Seq:
Struc:
210 a.a.
210 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.5.1.18  - Glutathione transferase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: RX + glutathione = HX + R-S-glutathione
RX
+
glutathione
Bound ligand (Het Group name = GSH)
corresponds exactly
= HX
+ R-S-glutathione
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     TRAF2-GSTP1 complex   9 terms 
  Biological process     metabolic process   31 terms 
  Biochemical function     S-nitrosoglutathione binding     8 terms  

 

 
    reference    
 
 
Angew Chem Int Ed Engl 48:3854-3857 (2009)
PubMed id: 19396894  
 
 
Rational design of an organometallic glutathione transferase inhibitor.
W.H.Ang, L.J.Parker, A.De Luca, L.Juillerat-Jeanneret, C.J.Morton, M.Lo Bello, M.W.Parker, P.J.Dyson.
 
  ABSTRACT  
 
Double trouble: A hybrid organic-inorganic (organometallic) inhibitor was designed to target glutathione transferases. The metal center is used to direct protein binding, while the organic moiety acts as the active-site inhibitor (see picture). The mechanism of inhibition was studied using a range of biophysical and biochemical methods.