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. 2022 Aug 30;12:14737. doi: 10.1038/s41598-022-19040-8

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© The Author(s) 2022

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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Model of the ternary complex of DepB_Rleg. (A) Binding orientation for 3-keto-DON for hydride attack at the re-face. π-stacking interactions between Phe-84 and the cyclohexene ring are shaded yellow. (B) Binding orientation for 3-keto-DON for hydride attack at the si-face. (C) Multiple sequence alignments depicting the sequence variability at positions corresponding to Phe-84 and Ala-123 in DepB_Rleg with that of various AKR family representatives.