Figure 5 - full size

 

Figure 5.
Figure 5. (a) FK506 (from PDB 1FKF) modeled in the ligand-binding pocket of wild-type (violet) and E60Q (cyan) FKBP12. The rotation of W59 leads to a conformation that creates steric clash between its side chain and the docked FK506. (b) The network of interacting amino acids and Wat3 in FKBP12.

The above figure is reprinted by permission from John Wiley & Sons, Inc.: Proteins (2008, 74, 603-611) copyright 2008.