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. 2017 Jul 14;7:5399. doi: 10.1038/s41598-017-05637-x

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© The Author(s) 2017

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 license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license 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 license, visit http://creativecommons.org/licenses/by/4.0/.

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Cocaine and its analog bind and stabilize the outward-facing (OF) state to the wt DAT and the R60A mutant. (A) Cocaine binds near the S1 site of R60A in the OF state of the mutant, and closely interacts with D79, R85, Y156, F320 and D476. (B,C) Cocaine binds near the S1 (B) and S2 (C) sites of wt DAT in the OF state. (D) JHC1-64 binds near the S2 site of R60A and inserts toward the S1 site. (E,F) JHC1-64 binds to the vicinity of the S1 (E) and S2 (F) sites of wt DAT. Cyan, blue, dark red, light red, and yellow spheres represent the respective carbon, nitrogen, oxygen, chloride, and sulfur atoms of JHC1-64.