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. 2009;48(48):9092-6. doi: 10.1002/anie.200904410.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adenine / chemistry
  • Alkylation
  • Catalytic Domain
  • Catechol O-Methyltransferase / chemistry*
  • Catechol O-Methyltransferase / metabolism
  • Catechol O-Methyltransferase Inhibitors
  • Crystallography, X-Ray
  • Enzyme Inhibitors / chemistry*
  • Enzyme Inhibitors / metabolism
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Structure
  • Structure-Activity Relationship
  • Substrate Specificity
  • Water / chemistry*

Substances

  • Catechol O-Methyltransferase Inhibitors
  • Enzyme Inhibitors
  • Water
  • Catechol O-Methyltransferase
  • Adenine