Fig. 7.
Lowest-energy conformations of 2k docked with Mpro (PDB code 6LU7). (a) Overview of the structure of 2k-bound Mpro. Protein is shown in cartoon representation and inhibitor is shown in the stick model. (b) Interactions formed between inhibitor and surrounding residues. The inhibitor and key residues are in the stick model and then colored by elements (N, blue; O, red; S, yellow). (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)