Binding of different ligands to CYP46A1. (A) Binding of POS (carbon atoms are magenta), VOR (carbon atoms are marine), and CLO (carbon atoms are wheat) as compared with that of tranylcypromine (carbon atoms are black), thioperamide (carbon atoms are lime), and cholesterol 3-sulfate (carbon atoms are gold). (B and C) Two views of POS binding as compared with that of bicalutamide (carbon atoms are green) and fluovoxamine (carbon atoms are brown). A and B also show Phe121 and the P450 secondary structural elements defining the Phe121-pocket. Panel C shows Trp368 and the CYP46A1 secondary structural elements defining the Trp368-pocket. The heme carbon atoms are red (POS-bound CYP46A1), brown (VOR-bound CYP46A1), salmon (CLO-bound CYP46A1), olive (tranylcypromine-bound CYP46A1), violet (thioperamide-bound CYP46A1), orange (cholesterol-sulfate-bound CYP46A1), light raspberry (bucalutamide-bound CYP46A1), and brown (fluvoxamine-bound CYP46A1). Coloring of other atoms is the same as in Fig. 3.