Figure 6.

In silico docking of halothane to K-Shaw2 (closed and open conformations) and Kv1.2 (closed). Shown are lateral (A) and bottom (B) views of K-Shaw2 in the closed conformation (S4-S5 linker through the S6 segment). In silico docking solutions returned eight possible sites (sites 1–8; Supporting Material). Colored blobs represent the computed density isosurface of the ligand on a given receptor site. (C) Calculated ligand-binding constants (B_i) for sites 1–8 (Supporting Material). (D–F) Idem for the open conformation of K-Shaw2. (G–I) Idem for the closed conformation of Kv1.2. B_i = 0 indicates that the ligand has no affinity for the site.