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. 2023 Oct 13;14:6437. doi: 10.1038/s41467-023-42164-y

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© The Author(s) 2023

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 Overall structure of the BX430-bound P2X4 receptor viewed from the extracellular side. The BX430 molecule and amino acid residues involved in its binding from one of three equivalent binding pockets are shown in stick representation. b Close-up views of the BX430 binding pocket. Dotted lines represent hydrogen bonds. c Schematic diagram of the interactions between zfP2X4 and BX430. Hydrogen between the amine groups of BX430 and the main-chain carbonyl group of zfP2X4 are shown as dotted lines. d Close-up views of BX430 and BAY-1797 molecules in the cryo-EM structure and the superposition of BAY-1797 onto BX430. e Amino acid sequence alignment of P2X4 receptors from Danio rerio (zebrafish) (AAH66495.1), Bos taurus (NP_001029221.1), Mus musculus (NP_035156.2), Rattus norvegicus (AAA99777.1), and Xenopus laevis (NP_001082067.1), P2X receptors from Homo sapiens (P2X1: P51575.1, P2X2: Q9UBL9.1, P2X3: P56373.2, P2X4: Q99571.2, P2X5: Q93086.4, P2X6: O15547.2, and P2X7: Q99572.4), and Ailuropoda melanoleuca (giant panda) P2X7 receptor (XP_002913164.3). The residues of the regions located at the binding pocket are shown. Blue and green circles indicate the residues involved in the binding of BX430 and BAY-1797, respectively.