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. 2021 Sep 17;12:725949. doi: 10.3389/fpls.2021.725949

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Copyright © 2021 Chen, Kuang, Shi, Wang, Fu, Xie, Yang, Sampietro, Huang and Yuan.

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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Docking modes of (−)-epi-GR24 and the halogenated (+)-GR24 analogs with OsD14. (A) Pocket location of OsD14 when 7FGR24 combined on it. (B) Spatial position and interaction force between 7FGR24 and important amino acid residues in the active pocket. (C) The distance of the polar connection between the 7FGR24/(+)-GR24 and Ser 97 and His 247. (D) The halogenated (+)-GR24 analogs in the active pocket (the yellow sticks in the pocket are SER97). (E) 2D view of 7FGR24 in the catalytic site of OsD14. (F) Comparison of binding postures of 7FGR24, 7BrGR24, and (+)-GR24. (G) Two ways of connecting (−)-epi-GR24 to active pocket. The (−)-epi-GR24 is shown as yellow and purple sticks, 7BrGR24 as orange sticks, 7FGR24 as blue sticks, and the original ligand of OsD14 – (+)-GR24 as green sticks.