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. 2021 Dec 9;13(1):38–49. doi: 10.1021/acsmedchemlett.1c00526

Figure 5.

Figure 5

(A) Crystal structure of OAT resulting from soaking of 20 over 1 h, shown in two alternate conformations (beige): one in which the carboxylate group interacts with Tyr55 (conformation A) and the other in which the carboxylate forms a salt bridge with Arg413 (conformation B); PDB code: 7LK1. (B) Co-crystal structure of OAT with 20; PDB code: 7LK0. Carbon atoms in the residues are colored gray, nitrogen in dark blue, and oxygen in red; the water molecule is shown as a red sphere. Hydrogen bonding distances between atoms are in Ångstroms (Å) and are shown as black dashed lines. Figure reproduced ref (61). Copyright 2021 American Chemical Society.