National Center for
1CWL: Human Cyclophilin a Complexed With 4 4-hydroxy-meleu Cyclosporin
J. Mol. Biol. (1998) 283 p.435-449
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.