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. 2015 Jun 17;6(7):504–517. doi: 10.1007/s13238-015-0181-1

Figure 5.

Figure 5

Binding of flavonoids to Mtb HadAB complex. (A) K D values determined for the binding of flavonoids to MtbHadAB complex by ITC. (B) Different flavonoids tested in the current study (shown as sticks) bind at the same location on MtbHadAB. Upon superimposition of the structures, the ligands overlap. They bind in the cavity (right panel, gray colored surface representation) located just beneath the fatty acid binding channel. An example of butein (BUN; cyan sticks, right panel) bound in the cavity is shown. (C) Nature of amino acid interacting with flavonoids is shown. Flavonoids and amino acids are shown as sticks, while water is depicted as spheres. 2Fo-Fc electron density contoured at 1σ for the three ligands is shown