Figure 1

Top-scored docking poses within the binding pocket of S1R of: (A) (S)-PB28; (B) (S)-10, (C) 14, (D) (R)-16. For the sake of clarity, only polar hydrogen atoms are shown. Important residues are rendered as sticks while the proteins are represented as cartoons. Salt-bridge and cation-pi interactions are depicted by a red and green line, respectively.