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. Author manuscript; available in PMC: 2017 Nov 7.
Published in final edited form as: Cancer Cell. 2015 Mar 9;27(3):327–341. doi: 10.1016/j.ccell.2015.02.001

Figure 3. Structure-function modeling of SMO drug-binding pocket mutants.

Figure 3

(A) Computational docking model showing a top down view of vismodegib (yellow) binding to SMO (grey) and revealing the proximity of W281, V321, I408 and C469 (all green) to the drug-binding pocket.

(B) Left: The position of V321 and W281 (both green) relative to vismodegib (yellow). Middle: The C281 mutant from PT02. Right: The M321 mutant from PT09 is expected to impact the conformation of W281.

(C) Positioning of I408 (left) and the mutant V408 (right) relative to vismodegib. In all panels mutant residues are highlighted in red text.