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[Preprint]. 2023 Mar 6:2022.07.31.502215. Originally published 2022 Aug 1. [Version 2] doi: 10.1101/2022.07.31.502215

Figure 1. Structure of the WT SARS-CoV-2 Mpro dimer.

Figure 1.

Cartoon representation of the Mpro dimer bound to nirmatrelvir (PDB ID 7vh85) with protomer A in tan and B (front of the image) in grey. The three domains (I, II, and III) are labeled for each protomer. The S1 pocket residues (Phe140, His163, Glu166, and His172) of protomer A (highlighted in red and shown as sticks) interacts with Ser1∗ from protomer B (shown in the van der Waals sphere representation). Ser1∗ forms either a hydrogen bond or salt bridge with Phe140, Glu166, and His173, while His163 forms aromatic stacking with Phe140. The inhibitor nirmatrelvir is shown in green.