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. 2021 Jul 15;11:14539. doi: 10.1038/s41598-021-93285-7

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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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Minimum energy conformation of docked compound K₁ in the binding pocket of isoleucyl-tRNA synthetase (IleRS). (A) IleRS has been shown as cartoon representation while docked compound K₁ has been shown as a surface in pink color; (B) Binding pocket of IleRS has been shown as surface and docked compound K₂ is represented as a stick in pink while native ligand is demonstrated as line rendering in red color; (C) Binding residues are shown inline style and intermolecular interaction are shown as dotted lines. PyMoL 2.4.1 (https://pymol.org/2/) (A,B) and Biovia Discovery Studio Visualizer 2020 (C) programs were used for generating the images.