Figure 2.
Packing of inhibitors with the active site residues in cocrystal structures of Mpro in comparison with SARS-CoV-2 (SC2). (A,B) Inhibitor GC376 bound to Mpro from SARS-CoV-2 (PDB ID: 6WTJ) and gamma-CoV SW1 from the beluga whale. (C,D) Inhibitor PF-000835231 (active form PF-07304814) bound to Mpro from SARS-CoV-2 (PDB ID: 8DSU; presented in this work) and porcine delta-CoV HKU15. Interactions at the active sites of the two protomers are indicated by A and B for SW1 and HKU15. In all panels, the active site residues are colored blue to red for increasing interactions with the bound inhibitor. The catalytic residues are labeled in yellow font.