Figure 7

(a) Side view (top) and top view (bottom) of UT-BI binding site. AC represents allosteric channel, U represents urea binding site, FGD represents functional group docking (FGD) site, O represents the opening of binding site. (b) CoMFA contour maps, four contours represent steric favored contour (St, yellow), Bulk favored contour (Bu, green), electrostatics favored contour (H⁺, blue) and Electrostatics disfavored contour (H, red). (c) CoMSIA contour maps, six contours represent hydrogen bond acceptor favored contour (HA, magenta) and disfavored contour (DHA, red), hydrophobic favored contours (Ho, yellow) and hydrophobic disfavored contours (Hi, white), steric favored contour (St, blue) and bulk favored contour (Bu, green). The cartoon graph of CoMSIA illustrates the contour location inside the UT-BI binding site.