Figure 2
From: Interactions of antiparasitic sterols with sterol 14α-demethylase (CYP51) of human pathogens
The lowest energy docking poses of carapolide A (Orange) and ketoconazole (Blue) in the substrate binding site of human CYP51. Hydrogen bonding interaction between ketoconazole and Tyr 145 is depicted with the blue dash lines. Both compounds were predicted to interact with the amino acid residues shown. The molecular surface diagram is shown in Additional file 1: Figure S2.