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. 2022 Apr 22;2:100025. doi: 10.1016/j.crchbi.2022.100025

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© 2022 The Author(s)

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Fig. 4 — Crystal structure of M^Probound with halicin (PDB ID7TUU). (A) Location of bound halicin on M^Pro. Halicin was observed to bind with C145, C156 and C300. (B) Surface of M^Pro active site was shown. Halicin forms covalent bond with C145 and embeds between P1 and P2 sub-pockets. (C) Interaction between halicin and active site residues in M^Pro was shown. The shortest distance from the thiazole ring of halicin to the imidazole ring of H41 was measured as 3.4 Å and indicated as a yellow dotted line.