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. 2019 Oct 25;8:e49572. doi: 10.7554/eLife.49572

Figure 6. ZINC9155420 binding and inhibition.

(A) Cryo-EM density map of the ZINC9155420 binding pocket. Density attributed to ZINC9155420 is shown in pink. Lipids are colored in khaki. The TRPV5 protein is depicted with one monomer in teal and three in gray. (B) (left) Atomic model of the ZINC9155420 binding pocket. (right) Zoomed in view of the ZINC9155420 binding pocket with residues that could constitute binding labeled and shown as sticks. One potential pose of the ZINC9155420 molecule is shown as pink sticks and densities attributed to lipids are shown as khaki mesh. (C) Summary of the effects of ZINC9155420 on wildtype TRPV5 (black, replotted from Figure 1C) and M491A TRPV5 (red, n = 4–7) analyzed and plotted as in Figure 1.

Figure 6.

Figure 6—figure supplement 1. Predicted vs. observed binding.

Figure 6—figure supplement 1.

(A) Predicted ZINC9155420 binding mode at the econazole binding site. (B–C) Observed binding site on the S4-S5 linker based on the cryo-EM data for (B) ZINC9155420 shown as pink sticks and (C) ZINC17988990 shown as orange sticks.