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. 2020 Oct 16;11:595009. doi: 10.3389/fphys.2020.595009

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Copyright © 2020 Feng and Liu.

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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Stereo view of permethrin bound within the active site cavity. Permethrin bound within the active site cavity of: (A) MdαE7; (B) MdαE17; (C) MdβE2; and (D) MdIntE7. The Serine (Ser) and Histidine (His) residues are labeled as green sticks and the 1S-trans-permethrin isomer as cyan sticks. The distance between permethrin and the Ser residue of the carboxylesterase is indicated by a red dashed line. The binding energy is also shown. All amino acid active site cavities are labeled in each carboxylesterase structure.