Fig. 2: Crystal structure elucidation of VanR complexed with vanillic acid.

a ITC titrations of vanillic acid and hydroxytyrosol to wild-type VanR. The upper panels show the binding isotherms and the lower panels show the integrated heat for each injection fitted to a single-site model. b Crystal structure of the VanR with bound vanillic acid. Subunits A and B are colored in cyan and light red respectively. c Fo-Fc electron density map of vanillic acid at the contour of 2.0 colored in light green; d The interaction of VanR with vanillic acid. Vanillic acid is shown in green stick and polar contacts are shown as red dash lines.