Figure 2.

Pocket one of PLpro: structural analyses and relative activities.A–D, structural representations of key residues in Pocket 1 at the interface of the Ubl and thumb domains. Only residues participating in side chain–side chain or side chain–backbone interactions are considered. The labels of the residues are color-coded based on their effects on the relative rate of PLpro upon site-directed mutagenesis: red for mutants with <15% relative activity, blue for mutants with relative activity of 15%–60%, and black for mutants with >60% relative activity. The figure was produced using PyMOL Molecular Graphics System version 2.5.5 (Schrödinger LLC). E, bar plot of the relative activities of Pocket one mutant compared to WT. The relative activities were calculated from the slope of the linear line of the enzyme titration data in Fig. S1. The colors of the residues in A–D and the bars in E correspond to the domain colors established in Figure 1 (purple = Ubl and green = thumb). The data are presented as the mean ± SD, n = 3.