Fig. 5: Predicted binding modes of fluoroquinolones with OqxB.
From: Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae
Molecular docking predicted binding orientations of ciprofloxacin (A), levofloxacin (B), and moxifloxacin (C). Hydrophobic, positively charged, negatively charged residues depicted as yellow, blue, and magenta sticks, respectively. Other important substrate-binding pocket residues are shown as cyan color sticks. Inter-molecular hydrogen bond interactions are highlighted with broken lines. All the predicted docking modes are superposed to illustrate similar interaction patterns of fluroquinolones with OqxB substrate-binding pocket (D).
