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. 2019 Oct 21;9:15076. doi: 10.1038/s41598-019-50701-3

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© The Author(s) 2019

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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Structural comparison of the Ebola and HTLV1 complexes with hNEDD4-WW3. (a) Structural superposition of the hNEDD4-WW3 domain structure (light brown cartoons) from the Ebola and HTLV1 complexes. Shown are the lowest energy models in the NMR ensembles. The side chains of the WW domain residues involved in binding are shown as orange (HTLV1) and blue (Ebola) sticks. (b) Orientation of the Ebola (blue) and HTLV1 (orange) ligands on the hNEDD4-WW3 binding site. Residues I859 and T866, determining the size of the xP and xY pockets in these complexes and defining ligand orientation are shown as blue (Ebola) and yellow (HTLV) sticks. (c) Detail of the interactions established by the HTLV1 (upper panels) and Ebola (lower panels) ligands at the different regions on the hNEDD4-WW3 binding site. (d) Intermolecular hydrogen bonds established between the HTLV1 (left panel) and the Ebola (right panel) Late domain peptides and the hNEDD4-WW3 domain. The WW domain is shown in a light blue cartoon representation. The most relevant side chains for ligand recognition are shown in light blue sticks. Ligand atoms are shown as orange (HTLV1) and dark blue (Ebola) sticks. Hydrogen bonds are depicted as discontinuous black lines.