Fig. 4.
Overlay of the R-bicalutamide-W741L complex (green) and DHT-WT complex (magenta). (a) Overview of the steroidal plane. Notice the similar positioning of the cyano group of R-bicalutamide to the 3-keto group of DHT and the differences in the location of bulk from these ligands. (b) Side view of the steroidal plane. The R-bicalutamide B ring in the W741L AR binds in the region occupied by the Trp-741 indole ring in the WT AR bound to DHT. Also notice differences in the locations of Met-895, Met-745, and Thr-877.