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. 2022 Jan 10;14(2):274. doi: 10.3390/nu14020274

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© 2022 by the authors.

Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).

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Schematic representation for the reconstruction of PlnE and PlnF. The sequence of PlnE and PlnF were separately modeled using SWISS-MODEL server and AlphaFold Colab, followed by superimposing predicted structures with PlnE template (PDB ID: 2JUI) and PlnF template (PDB ID: 2RLW). The SWISS-MODEL predicted structures were chosen for further modeling due to the lower RMSD value with the templates compared to AlphaFold Colab predicted structures. A homology modeling approach was used to rebuild PlnE and PlnF as a single structure using MODELLER v10.1. The best structure was used to dock against SARS-CoV-2 helicase nsp13 using the protein-protein docking approach.