Structural comparison of the active site channels in rodent and primate vascular adhesion protein-1

J Neural Transm (Vienna). 2013 Jun;120(6):947-50. doi: 10.1007/s00702-013-0974-4. Epub 2013 Jan 18.

Abstract

In this study, we have made homology models of mouse, rat, and monkey vascular adhesion protein-1 (VAP-1) to reveal basis for the species-specific ligand recognition of VAP-1. Based on the structural comparisons, rodent VAP-1s have a narrower active site channel than primate VAP-1s. The variable residues in mouse and rat VAP-1, Phe447 from arm I and the polar residues from the first α-helix of the D3 domain together with C-terminal residues are likely to affect ligand recognition and binding.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Binding Sites / drug effects
  • Binding Sites / physiology
  • Biological Evolution
  • Catalytic Domain / drug effects
  • Catalytic Domain / physiology*
  • Cell Adhesion Molecules / chemistry*
  • Cell Adhesion Molecules / metabolism*
  • Computer Simulation
  • Haplorhini
  • Humans
  • Ligands
  • Mice
  • Models, Molecular*
  • Rats

Substances

  • Cell Adhesion Molecules
  • Ligands