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. 2022 Oct 15;13:6105. doi: 10.1038/s41467-022-33880-y

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Fig. 2 — a Vertical cross section showing a shallow binding pocket in H₃R. The extending binding pocket (EBP) of H₃R-PF03654746 is shown in a red ellipse. |2F_o|−|F_c| electron density map for the PF-03654746 contoured at 1.0σ. b Detailed interactions of PF-03654746 in the H₃R ligand-binding pocket. H₃R was shown in gray ribbons, with critical residues for ligand-binding as cyan sticks and PF-03654746 as magenta sticks. Hydrogen bonds were shown as yellow dashed lines. c Surface representation of cholesterol-binding site with cholesterol shown in yellow spheres. d Detailed interactions of cholesterol with H₃R. Residues critical for cholesterol binding were shown as orange sticks and cholesterol was shown as yellow sticks. The hydrogen bond was shown as yellow dashed lines.