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. 2023 Feb 10;299(3):103004. doi: 10.1016/j.jbc.2023.103004

Figure 5.

Figure 5

Crystal structure of G143S Mpromutant in complex with nirmatrelvir.A, chains A–D of G143S Mpro in complex in nirmatrelvir highlighting the different ligand conformations. Mpro is shown as yellow cartoon. Residues G143 and C145 are shown as sticks and colored in yellow. For nirmatrelvir, the 2mFo-DFc electron density contoured at 1.0σ is represented in gray. B, surface charge representation of S1 subpocket for WT Mpro, showing the conformation of the pyrrolidine group. C, electrostatic charge calculated with APBS (43), projected on surface representation of S1 subpocket for G143S Mpro showing the conformation of the pyrrolidine group. For (B) and (C) nirmatrelvir is shown as lines and colored in yellow.