FIG 5.

Structural basis for the broad-spectrum antifungal activity of VT-1598. (a) VT-1598 bound in the active site of A. fumigatus CYP51B; (b) VT-1161 bound in the active site of C. albicans CYP51 (PDB accession number 5TZ1); (c) VT-1161 (cyan) modeled into the active site of A. fumigatus CYP51B (tan); (d) VT-1598 in the model of A. fumigatus CYP51A (aquamarine). The oxygen atom of each inhibitor that forms an H bond with the histidine residue of the protein and the heme iron coordinating nitrogens (in a to c) are circled (in green); the distances are shown (orange); the color code and orientation are the same in all panels.