Figure 2: The deep binding pocket of SANT1.
From: Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs
(a) Localization of different ligands in the binding pocket: SANT1 (orange), Anta XV (green), SAG1.5 (light blue), LY2940680 (magenta) and cyclopamine (cyan). (b,c) The shapes of the deep binding pockets in the structures of SMO_Anta XV (green) and SMO_SANT1 (yellow), respectively. (d) Superposition of the deep binding pockets in the structures of SMO_Anta XV and SMO_SANT1. The side-chain movements induced by SANT1 binding are shown by arrows. (e) ΔpKi values (pKi wild-type (wt)–pKi mutants (mut)) of the designed mutants for different SMO ligands in 3H-cyclopamine competition experiments. Shown in the graph are mean±s.e.m. of 3–4 independent experiments, see also Supplementary Table 1.
