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PDBsum entry 3hvj

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protein ligands metals Protein-protein interface(s) links
Transferase PDB id
3hvj
Jmol
Contents
Protein chains
213 a.a. *
Ligands
705 ×2
BTB
Metals
_MG ×2
_CL
Waters ×406
* Residue conservation analysis
PDB id:
3hvj
Name: Transferase
Title: Rat catechol o-methyltransferase in complex with a catechol- propyladenine-containing bisubstrate inhibitor
Structure: Catechol o-methyltransferase. Chain: a, b. Fragment: soluble form, unp residues 44-264. Engineered: yes
Source: Rattus norvegicus. Rat. Organism_taxid: 10116. Tissue: liver. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
1.79Å     R-factor:   0.186     R-free:   0.235
Authors: A.Ehler,D.Schlatter,M.Stihle,J.Benz,M.G.Rudolph
Key ref: M.Ellermann et al. (2009). Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor. Angew Chem Int Ed Engl, 48, 9092-9096. PubMed id: 19882607
Date:
16-Jun-09     Release date:   13-Oct-09    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P22734  (COMT_RAT) -  Catechol O-methyltransferase
Seq:
Struc:
264 a.a.
213 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     neurotransmitter catabolic process   2 terms 
  Biochemical function     magnesium ion binding     3 terms  

 

 
Angew Chem Int Ed Engl 48:9092-9096 (2009)
PubMed id: 19882607  
 
 
Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
M.Ellermann, R.Jakob-Roetne, C.Lerner, E.Borroni, D.Schlatter, D.Roth, A.Ehler, M.G.Rudolph, F.Diederich.
 
  ABSTRACT  
 
No abstract given.