Fig. 1: NBTI structure and apparent static disorder in DNA gyrase-binding site. | Nature Communications

Fig. 1: NBTI structure and apparent static disorder in DNA gyrase-binding site.

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

Fig. 1

a Structure of the representative NBTI GSK299423 (1), indicating the main structural features of the molecule: the “left-hand side” (LHS) and the “right-hand side” (RHS) connected by linker5,10. b Two conformations of GSK299423 (represented as balls and sticks colour coded by element) (1) modelled as a superimposition of the two orientations due to static disorder7,10. c Our design strategy includes a simple phenyl RHS (represented by bold bonds), substituted in such a manner to allow binding by either halogen or hydrogen bonding with the backbone carbonyl oxygen of one of Ala68.

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