Fig. 2.
The protein-ligand complexes of SARS-CoV-2 3CLPro with aldehyde 10a. (A) the surface structure of SARS-CoV-2 3CLPro with aldehyde 10a. The detailed protein-ligand complexes of SARS-CoV-2 3CLPro with aldehyde 10a in S1′ pocket (B), S1 pocket (C), S2 pocket (D), S3 and pocket (E) respectively. In the structure, the protease is presented as a white cartoon. The significant residues and inhibitor are shown as sticks (the protease residues are in green, 10a is in pink).