Fig. 6
From: Characterization of GQA as a novel β-lactamase inhibitor of CTX-M-15 and KPC-2 enzymes
A Predicted binding mode of GQA to the active site of KPC-2 (PDB: 6QW9). The ligand (GQAs) is shown as CPK-colored thick sticks. The amino acids in the active site are shown as sticks. Electrostatic surface potential (ESP) of the protein active site is shown; Red represents negatively charged (acidic) ESP and Blue is for positive (basic) ESP. Green dashed lines represents the hydrogen bonds between the ligand and the protein MOE Docking score (S Score) of the pose selected = − 7.6 kcal/mol. B 2 D interaction diagram of interaction between LM and the active site amino acids of KPC-2 (PDB: 6QW9). The solvent accessible surface is shown by light blue shades