Figure 5.

Close-up of the proposed binding mode of MRT-92 to hSmo. The ligand is displayed in ball and sticks using the following color coding: carbon, black; nitrogen, blue, oxygen, red. Smo side chains (carbon atoms) are colored according to their contribution to bind only LY2940680 (green), only SANT-1 (cyan), or both antagonists (tan). Protein nitrogen, oxygen, and sulfur atoms are colored in blue, red, and yellow, respectively. Smo residues are labeled according to the new class F Ballesteros-Weinstein nomenclature (3). Protein–ligand hydrogen bonds are displayed as dashed lines. Amino acids mutated in this study are underlined.