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. 2022 Feb 14;9:834857. doi: 10.3389/fmolb.2022.834857

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Copyright © 2022 Othman, Messaoud, Khamessi, Ben-Mabrouk, Ghedira, Bharuthram, Treurnicht, Achilonu, Sayed and Srairi-Abid.

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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Analysis of the RBD structural ensemble. (A) Structure of RBD showing the RGD motif, the Man5GlcNAc2 polysaccharide and the RBM segment. (B) Arrangement of the RGD motif relative to residue Y505 and Y495. (C) Statistical measurements of distances between RGD residues and D405 and Y495 collected from the ensemble of experimental structures. (D) Projection of RBD structure in the PC1-PC2 subspace of the PCA performed on pre-aligned and superimposed ensemble of structures. (E) RMSIP density plot calculated using the normal modes of each pair of structures of the ensemble. (F) RMSF profile of all the structures in the ensemble computed from all atoms normal mode analysis.