Figure 3
Top-ranked poses of astemizole (a), bepridil (b), sotalol (c), moxifloxacin (d), amiodarone (e), and chlorpromazine (f). Protein backbone structures are shown in ribbon form. Ligand molecules and the sidechains of residues S624, Y652, F656, and F557 are shown in stick representation (magenta: ligand molecules; light blue: S624; green: Y652; orange: F656; dark gray: F557). The black dashed lines represent hydrogen bonds, π-π interactions, or cation-π interactions as identified by the Maestro module of the Schrödinger Suite. The blue dashed line in (c) represents the distance between the nitrogen atom of the amine of sotalol and the closest oxygen atom of the hydroxyl group of S624. All molecular graphic images were produced using UCSF Chimera63.
