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. 2020 Oct 20;10:17794. doi: 10.1038/s41598-020-73660-6

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© The Author(s) 2020

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 licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence 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 licence, visit http://creativecommons.org/licenses/by/4.0/.

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Cardiolipin docking to YejMPD with and without lid. (a) YejMPD structure indicating layer I, II and III, intact lid, and superimposed cardiolipin molecules in their preferred docked location and orientations, with phospholipid heads groups pointing towards the active site and acyl chains towards the CT domain. (b) YejMPD shown in cartoon and surface volume representation cropped in the Z-plane to visualize the vestibule of the active site, Black arrow point towards preferred location of cardiolipin molecule. Gray arrow points towards the hydrophobic pocket and proposed cardiolipin binding site between layers II and III. (c) YejMPD with removed lid, black arrow pointing towards the exposed area of the hydrophobic pocket between layers II and III. (d) YejMPD with removed lid shows cardiolipin molecule with preferred acyl chains flipped upwards towards the hydrophobic pocket while the phospholipid headgroups remain located towards the active site vestibule at the base of layers II and III.