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. 2021 Apr 13;1:657529. doi: 10.3389/fbinf.2021.657529

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Copyright © 2021 Yin, Goncearenco and Berezovsky.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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(A–F) Cross-grafting of functional loops of the phosphate binding in dinucleotide (GxGxxG) and nucleotide-containing (GxxGxG) ligands. (A–C) Grafting of the phosphate-binding signature in dinucleotide-containing ligands (GxGxxG) in proteins with P-loop (GxxGxG) elementary function; recombinant realizations of descriptors are shown in proteins with PDB IDs: 1H5Y, 1BWV, and 1O5K. (D–F) Recombinant realizations of the descriptor of P-loop (GxxGxG) elementary function in proteins (1SKY, 1II2, and 1NI3, respectively) with elementary functional loops of the phosphate-binding in dinucleotide-containing ligands (GxGxxG). The original structures are shown in green.