X-ray structures and analysis of 11 cyclosporin derivatives complexed with cyclophilin A.
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.
The University of Edinburgh, Michael Swann Building, Edinburgh, EH9 3JR, UK.
J
J
Kallen
V
V
Mikol
P
P
Taylor
M D
MD
Walkinshaw
D016572:Cyclosporine / Q000737:chemistry* / Q000378:metabolism; D006801:Humans; D006860:Hydrogen Bonding; D046911:Macromolecular Substances; D008745:Methylation; D008958:Models, Molecular; D019696:Peptidylprolyl Isomerase / Q000737:chemistry* / Q000378:metabolism; D011487:Protein Conformation; D014633:Valine / Q000737:chemistry / Q000378:metabolism; D014867:Water / Q000737:chemistry / Q000378:metabolism; D014961:X-Ray Diffraction
D046911:Macromolecular Substances; D014867:Water; D016572:Cyclosporine; D019696:Peptidylprolyl Isomerase; D014633:Valine