Overall structures of CYP51.

<p><b>A, B.</b> Fluconazole-bound CYP51_Tc with selected α-helices labeled (PDB ID Code 2WUZ). <b>A.</b> Distal protein surface with respect to heme. <b>B.</b> Image is rotated ∼90° toward viewer. Protein backbone is depicted by cyan ribbon with the I-helix highlighted in magenta, BC-region in green, FG-region in blue. Heme (orange) and fluconazole are depicted by spheres. Fluconazole color scheme: carbon yellow, oxygen red, nitrogen blue, fluorine cyan. Images were prepared using PYMOL <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0000651#pntd.0000651-DeLano1" target="_blank">[58]</a> unless indicated otherwise. <b>C, D.</b> CYP51_Tb in surface representation with the hydrophobic residues colored in golden yellow. In <b>C</b>, posaconazole is omitted for clarity, heme prosthetic group (pink) shows through the hydrophobic tunnel entrance. In <b>D</b>, two overlaid posaconazole conformers are shown protruding out of the tunnel opening. Bent conformer (chain B) is in red, extended conformer (chain D) is in blue. Images were generated using VMD program <a href="http://www.plosntds.org/article/info:doi/10.1371/journal.pntd.0000651#pntd.0000651-Humphrey1" target="_blank">[59]</a>.