Fig. 9: Electron density and schematic diagram showing the full coordination sphere and multiple water mediated linkages of the active site magnesium in the 2.0 Å delafloxacin-core complex X-ray crystal structure (PDB ID:8QMB), with the 2Fo–Fc electron density map contoured at the 1.5σ level.
From: Structural basis of topoisomerase targeting by delafloxacin
ParE backbone is in yellow, DNA backbone is in light blue, magnesium ions are in purple, ParE residue side chains are in light purple, DNA bases and sugars are in silver, coordinated water molecules in red. Metal coordination is shown by dashed red lines; likely hydrogen bonds between the coordinated water molecules and the residues are shown as dashed dark blue lines. Bottom figure: Mg2+ coordination and links directly or via water molecules to protein or DNA are shown by black dashed lines.
