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. 2020 Feb 12;8:81. doi: 10.3389/fchem.2020.00081

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Copyright © 2020 Wu, Lou and Xie.

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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Overlapped structures of the predicted model of human SK2 ion channels and 5V02. (A) The predicted structure of human SK2 ion channels (PSK2) in blue overlapped with its crystallized structure (5V02) in red. The structure of a missing loop (IDF) near the ligand binding pocket in 5V02/5V03 has also been predicted. The green compound was Riluzole, which was the ligand in 5V02. (B) The predicted binding sites (Blue dots represent the results from Sitemap; red dots represent the results from LISE) overlapped with the Riluzole binding site in 5V02.