Figure 5.

Binding sites in the upper transmembrane domain (TMD) cavity. (a) Cartoon representation of TMDs showing the overlap of RHO (blue) and QZL (purple). The reference residues (ALA79 to LYS86) at the extracellular side were shown as spheres (cyan). The lipid bilayer was indicated by orange lines. (b) Distance distribution between the center of masses of the compound and reference residues. (c,d) Interactions of RHO and QZL with the residues in the TMD cavity obtained by the decomposition of their binding free energies, respectively.