Figure 3 The sequence conservation of myricetin- and fragment-interacting residues in SARS-CoV-2
NSP13. The sequence alignment across 21 betacoronaviruses highlights residues in
SARS-CoV-2 NSP13 that interact with myricetin or the fragments RYM, VVM and VVY (PDB
entries 5rme, 5rlc and 5rld, respectively) identified by Newman et al. (2021 ). Major outbreak-associated viruses are highlighted in red. Residues are visualized
in a sequence-logo plot and categorized by their locations within the stalk (wheat),
linker (dark grey) and RecA1 (orange) regions. Dots indicate residues interacting
with myricetin (violet), fragments (green) or both (pink). The surface representation
(top right) shows NSP13 colour-coded as in Fig. 1 , with ligands in ball-and-stick format: myricetin (yellow), RYM (cyan), VVM (magenta)
and VVY (blue). An enlarged view of the binding pocket (top left) highlights residues
interacting with myricetin and fragments RYM, VVM and VVY. |