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. 2018 Nov 6;8:16380. doi: 10.1038/s41598-018-34622-1

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© The Author(s) 2018

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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The structure of FP2-E64 complex based on 3BPF in the PDB and the Chemical Structure of E64. The positions of the catalytic residues, Q36, C42, H174, and N204 (Q36 is located behind C42 in the current view), are shown as spheres in (a). The known binding pocket subsites, S1 (green), S2 (grey), S3 (pale blue), and S1’ (orange) are shown as spheres in (b). The position of E64 (the black spheres) relative to the catalytic residues is shown in (c), and relative to the binding pocket subsites is shown in (d). The structure of E64 is shown in (e).