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. 2020 Mar 5;3:97. doi: 10.1038/s42003-020-0826-3

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© The Author(s) 2020

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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Fig. 3 — a Cartoon representation of A4V SOD1 dimer with ligands. The ligands (yellow sticks with valences) bind each monomer (purple and blue) at Cys111, located at the dimer interface. Dark grey spheres represent Zn in the Zn binding sites and light grey spheres represent Zn in the Cu binding site. Details of ligand binding of b A4V-ebselen, c A4V-compound 1, d A4V-compound 4 and e A4V-compound 6. The Fo-Fc map contoured at 3σ (green) shows the electron density of the ligands. The 2Fo-Fc map contoured at 1σ (grey) shows the electron density of Cys111 residues. f The superposed structures of A4V-ebselen (magenta) and A4V-compound 4 (cyan) monomers, depicting the binding pose of each compound.