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Figure 4
Fragments in the vicinity of the myricetin binding site in SARS-CoV-2 NSP13. NSP13 is shown in cartoon representation as in Fig. 1[link], with ligands depicted in ball-and-stick format. Fragments identified by Newman et al. (2021BB45) that overlap with or are adjacent to the myricetin binding site are illustrated: (a) fragment RYM (cyan; PDB entry 5rme), (b) fragment VVM (magenta; PDB entry 5rlc) and (c) fragment VVY (blue; PDB entry 5rld). Interacting residues are shown as sticks and water molecules are represented as spheres; each are labelled. Hydrogen bonds (red dashed lines) and carbon–π interactions (white dashed lines) are indicated. (d) Myricetin (yellow) and the fragments collectively form an extensive interaction network centred around Pro238, linking the RecA1 and stalk domains of NSP13.

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
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