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. 2021 Dec 13;11:23862. doi: 10.1038/s41598-021-03268-x

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© The Author(s) 2021

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

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Access to the catalytic pocket of WEE1. (a) Front and side views of H. sapiens WEE1 (pink) 3D structure superimposed to A. thaliana (blue), M. truncatula (green) and P. sativum (gold) predictions in ribbon representation. Residues conditioning the access to the catalytic pocket are highlighted in pink for E309 and its analogs and in blue for R518 and its analogs. The resulting catalytic pocket space approximately occupied by the target is highlighted in yellow. (b) Distance measurement (yellow hatched lines) in Å between residues conditioning the access to the catalytic pocket for the four 3D structures.