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. 2021 Mar 23;64(8):4991–5000. doi: 10.1021/acs.jmedchem.1c00058

Figure 3.

Figure 3

(A) Ionizable residues of the active site and the S1 subsite of the Mpro–telaprevir complex. A 2FO – FC nuclear density map of the Ser1′ N-terminus and histidines 41, 163, 164, and 172 is shown contoured at 1.0 σ level (violet mesh). All distances are shown in Å with telaprevir (green carbon atoms) being transparent for clarity. (B) Superposition of Mpro–telaprevir (cyan carbon atoms) and apo-Mpro (pink carbon atoms, PDB ID 7JUN) neutron structures showing the S1 subsite. Distances are in Å.