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. 2017 Jul 10;7:4944. doi: 10.1038/s41598-017-05095-5

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© The Author(s) 2017

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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Comparison of average conformations of (A) apo mGlu4 without MPEP (light green), (B) mGlu4 with bound MPEP (dark green, yellow, respectively), (C) apo mGlu5 without MPEP (cyan) with bound lipid molecule (brown), (D) mGlu5 with bound MPEP (blue, light grey, respectively), each obtained from 2.5–5 µs of respective MD simulations. Receptors are viewed extracellular-side from top. Relevant structural features are labelled, i.e. transmembrane helices (TMs) and residues in the allosteric pocket interacting with lipid/MPEP.