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Figure 2
Two views of the substrate-binding pocket of 3CLpro. The area of interaction between a putative substrate and the enzyme is exemplified by the binding of leupeptin (PDB entry 6yz6). The leupeptin molecule in the active site is shown as sticks, with C atoms in gray, O atoms in red and N atoms in blue. 3CLpro residues forming hydrogen bonds to the ligand are shown as sticks with C atoms in light green. Hydrogen bonds are shown as dashed lines. The covalent bond between leupeptin and Cys145 is shown in magenta.

IUCrJ
Volume 8| Part 2| March 2021| Pages 238-256
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521001159