Fig. 4: The S. aureus DNA gyrase in complex with 4 and DNA. | Nature Communications

Fig. 4: The S. aureus DNA gyrase in complex with 4 and DNA.

From: Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds

Fig. 4

a The 2.3-Å resolution crystal structure of compound 4 bound to a DNA–gyrase complex (PDB ID: 6Z1A). GyrA and GyrB are represented as cartoons in blue and yellow, respectively. 4 is represented as balls and sticks colour coded by elements and DNA as cartoon in red. The single hydrogen bond to the ligand is shown as blue dots. b Omit mFobs − DFcalc difference electron density for the bound ligand (magenta mesh) calculated at 2.3-Å resolution and contoured at 1.6σ. This shows clearly the asymmetry of the compound, including the intercalating moiety.

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