Figure 4.

Comparison of cryptic pocket opening in Nsp16 homologs and human CMTr1. (A) Equilibrium probability-weighted distribution of the solvent exposure of pocket-forming residues for SARS-CoV-2 (black), SARS-CoV-1 (blue), MERS (red), and CMTr1 (cyan). Structures representing the open pocket are shown for each homolog, with β3 colored in cyan and other pocket-forming residues from α3 colored in green. Black dotted line depicts SASA of pocket residues in the crystal structure of Nsp16/Nsp10 complex (PDB: 6wks). (B) Structure-based sequence alignment of Nsp16 homologs (SARS-CoV-2, SARS-CoV-1, and MERS) and human CMTr1 is shown for the cryptic pocket-forming regions. Residues of β3 are marked inside the black-colored box, and other pocket-forming residues from α3 are marked by green-colored stars. To see this figure in color, go online.