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. 2020 Oct 22;10:18043. doi: 10.1038/s41598-020-74752-z

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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 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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Docking simulations on MRSA PBP3 chain A ligand pocket for TZ and sulphoridazine, amino acid residues presented are at a VDW scaling factor 1.00 (atoms closer than distance = atom1 vdw + atom2 vdw) (a) TZ close to ligand pocket dotted green line H-bound: interaction between TZ and Leu 663 amino acid. (b) Sulforidazine in ligand pocket, dotted green line H-bound: interaction between sulforidazine and amino acids Thr 621, Ser 634 and Thr 603.