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. 2022 May 9;9:860246. doi: 10.3389/fmolb.2022.860246

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Copyright © 2022 Koniuszewski, Vogel, Bampali, Fabjan, Seidel, Scholze, Schmiedhofer, Langer and Ernst.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Binding sites in pLGICs. For each pLGIC family, one representative subunit dimer is displayed as ribbon structure, in superposition with selected ligand bound structures. The superposition of multiple ligands (where available) serves to give an impression of the overall volume of the pockets. The displayed structures are as follows: GABA_ARs: ribbon and picrotoxin (yellow, channel blocker site 6): 6X40; canonical ECD site 1 (red in all panels): superposition of diazepam/6HUP, bicuculline/6X3S, flumazenil/6X3U; upper TMD interface site 3 (green shades in all panels): etomidate/6X3V and propofol/6X3T; lower TMD interface site 4 (cyan): alphaxalone/6CDU; TM3/TM4- lipid associated site 5 (ocean blue): pregnenolone sulfate/5OSC. GlyR: ribbon and glycine in canonical ECD site: 5BKG; upper ECD interface site 2 (brown): AM-3607/5TIO; site 3: ivermectin/5VDI; channel blocker site 6: 6UD3. nAChR: ribbon with alpha-bungarotoxin at site 1 in red tube: 7KOO, site 1: varenicline/6UR8 and EVP-6124/7EKT, site 3: PNU-120596/7EKT. 5-HT₃R: ribbon and site 3 granisetron/6NP0. Next to the ribbon renderings, some representative pentameric arrangements are shown schematically. For each family, the binding sites for the orthosteric agonists, and the high affinity benzodiazepine site (Bz) of GABA_A receptors are displayed in the selected pentameric arrangements.