FIGURE 7.

Views of the CYP46A1 active site illustrating interactions with CLO. A, residues in contact with CLO are shown. B, superposition of CLO-bound (violet) and ligand-free (wheat) CYP46A1 structures shows the solvent-occupied surface of the active site in CLO-bound CYP46A1 and residues undergoing conformational changes upon CLO binding. The heme group in CLO-bound and ligand-free CYP46A1 is in salmon and red, respectively, and CLO is in gray. The nitrogen, oxygen, sulfur, iron, and chlorine atoms are in blue, red, yellow, orange, and green, respectively. H₂O molecules are shown as red spheres. Dashed black lines indicate hydrogen bonds, and the dashed gray line connects the VOR nitrogen and heme iron showing the distance between the two atoms.