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. 2018 Mar 7;8:4110. doi: 10.1038/s41598-018-22527-y

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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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Conformational itinerary of −1 MurNAc along MltE transformation. I denotes the Michaelis complex; Ts1_2D, the transition species between I and II_2D; II_2D, the intermediate; Ts2_2D, the transition species between II_2D and III_2D; III_2D and III_QM, the 1,6-anhydroMurNAc in the B_3,O conformation; Ts3_QM, the transition species between III_QM and IV_QM; IV_QM, the 1,6-anhydroMurNAc in the ¹C₄ conformation. A −1 MurNAc adopts boat (B), chair (C), envelope (E), and skew (S) conformations. The B_3,O to ¹C₄ transformation is off-enzyme reaction.