Figure 2.

Overall structure of apo and carbamazepine-bound FZD8_CRD and structural comparison. (A) Four molecules of the apo structure of FZD8_CRD in the asymmetric unit (ASU) (PDB code 6TFM). (B) Two molecules of FZD8_CRD in complex with carbamazepine in the ASU (PDB code 6TFB). (C) Cartoon representation of FZD8_CRD, rainbow-colored from N-(blue) to C-(red) terminus. Residues originating from the Rhinovirus 3C cleavage site are colored in gray. In both our apo and carbamazepine-bound crystal structures, these additional residues contribute to an antiparallel β-strand (β2), which stabilizes β1. The bound carbamazepine is shown as gray sticks (PDB code 6TFB). (D) Close-up view of loop_6 from the two aligned carbamazepine-bound FZD8_CRD molecules (gray and brown) superimposed on two representative apo FZD8_CRD molecules from the ASU (green and cyan, PDB code 6TFM). (E) Alignment of two FZD8_CRD copies from previously published complex structures with Wnt8 (blue, PDB code 4F0A) and Wnt3 (red, PDB code 6AHY). The Wnt index fingers are shown as Cα traces.