Figure 3.

Best-scored docking poses of ligands within MexY proteins. Berberine is represented in yellow while the aromatic monosubstituted derivatives are p-CF₃ (blue), o-CH₃ (cyan), and p-CH₃ (light green). (A) MexY–PA7 protein with the periplasmic site represented in light blue ribbons; interacting residues are evidenced with a label and a side chain. (B) MexY–PAO1 protein with the site cleft represented in light purple ribbons; interacting residues are evidenced with a label and a side chain. (C) MexY–PA14 protein with the site cleft represented in light orange ribbons; interacting residues are evidenced with a label and a side chain.