X-ray structures and analysis of 11 cyclosporin derivatives complexed with cyclophilin A

J Mol Biol. 1998 Oct 23;283(2):435-49. doi: 10.1006/jmbi.1998.2108.

Abstract

Eight new X-ray structures of different cyclophilin A/cyclosporin-derivative complexes are presented. These structures, combined with the existing three published cyclosporin complexes, provide a useful structural database for the analysis of protein-ligand interactions. The effect of small chemical differences on protein-ligand hydrogen-bonding, van der Waals interactions and water structure is presented.

MeSH terms

  • Cyclosporine / chemistry*
  • Cyclosporine / metabolism
  • Humans
  • Hydrogen Bonding
  • Macromolecular Substances
  • Methylation
  • Models, Molecular
  • Peptidylprolyl Isomerase / chemistry*
  • Peptidylprolyl Isomerase / metabolism
  • Protein Conformation
  • Valine / chemistry
  • Valine / metabolism
  • Water / chemistry
  • Water / metabolism
  • X-Ray Diffraction

Substances

  • Macromolecular Substances
  • Water
  • Cyclosporine
  • Peptidylprolyl Isomerase
  • Valine