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. 2022 Jan 5;11:790101. doi: 10.3389/fcimb.2021.790101

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Copyright © 2022 Yu, Liu, Luo, Zhao, Alzan and He

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Molecular model of gossypol with BoLDH. (A) Structural cartoon of BoLDH with gossypol on NADH binding pocket and oxamate on substrate binding pocket. gossypol and oxamate were displayed as stick diagram. (B) The distribution of hydrogen bonds and hydrophobic interactions at the gossypol interface. (C) The distribution of hydrogen bonds and hydrophobic interactions at the oxamate interface. The interacting amino acids in the binding network are labeled and shown as stick diagrams, and the dashed lines represent the hydrogen bonds and hydrophobic interaction between the respective donor and acceptor atoms. The two pictures were produced using Discovery Studio 2018 Client software.