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Predicted binding modes of Quercetin in the binding pocket of Kgp (a,b, PDB ID: 6I9A) and RgpB (c,d, PDB ID: 1CVR). Quercetin is shown as pink sticks. Key residues around the binding pocket are displayed as sticks in (a) (Kgp, purple) and (c) (RgpB, blue). Hydrogen bonds are highlighted as red dashed lines, and water is depicted as small red balls. The surfaces of the substrate binding site in Kgp and RgpB are shown in (b) (purple) and (d) (blue), respectively.
