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Docking binding modes of the representative hybrid 3a (cyan sticks) in the catalytic site of GyrA (S. aureus GyrA in gray; DNA in orange; PDB entry: 5CDQ [24]) and in the ATP-binding site of GyrB (S. aureus GyrB in yellow; PDB entry: 6TCK [21]). For clarity, only amino-acid residues forming hydrogen bonds (dashed lines) are presented as sticks. The magnesium ion in GyrA is a green sphere, while the structural water in GyrB is a red sphere.
