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. 2021 Oct 27;433(24):167324. doi: 10.1016/j.jmb.2021.167324

Figure 6.

Figure 6

(A) The distributions of Cα distance 285–285: SARS-CoV 3CLpro (green; mean = 7.7 ± 1.0 Å) and SARS-CoV-2 3CLpro (orange; mean = 5.8 ± 1.0 Å). Note that the data of SARS-CoV 3CLpro contain ten chains of the triple mutant S284-T285-I286/A, for which the mean value was 6.2 ± 1.0 Å. The minimum value of distance 285–285 is 5.0 Å. (B) The distributions of PC2(domain III dimer), a parameter representing the width of the interface of the domain III dimer (larger values of PC2 correspond to more open forms) for SARS-CoV 3CLpro (green) and SARS-CoV-2 3CLpro (orange). (C) Representative structures of the interface of the domain III dimer: 2gt8 (SARS-CoV 3CLpro; yellow (chain A) and salmon (chain B); distance 285–285 = 9.131 Å and PC2(domain III dimer) = 11.365) and 6m03 (SARS-CoV-2 3CLpro; green and pale green; 5.227 Å and − 8.573), drawn after superposition at the core region. These entries are both symmetric dimer. The hydrophobic contacts are depicted by yellow dotted lines (both of the contact lengths are 3.6 Å).