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. 2018 Oct 4;8:14796. doi: 10.1038/s41598-018-32967-1

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© The Author(s) 2018

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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PmMOR^V150M citral binding. (A) Close-up view of the active site showing putative catalytic residues for citral with distances shown as blue dashed lines and labeled. The two citral conformations are show with carbons in cyan and green. Omit map contoured at +3.5 standard deviations (σ) above the mean shown in green mesh. (B) A cutaway of the PmMOR active site is shown with the two citral binding modes colored as per A. Selected residues are labeled.