Fig. 6: GRL0617 occupies the same binding pocket in the USP domain as other USP7 and USP14 inhibitors. | Nature Communications

Fig. 6: GRL0617 occupies the same binding pocket in the USP domain as other USP7 and USP14 inhibitors.

From: The complex structure of GRL0617 and SARS-CoV-2 PLpro reveals a hot spot for antiviral drug discovery

Fig. 6

a Binding pocket of GRL0617 (orange) in SARS-CoV-2 PLproC111S mutant (PDB 7CJM [https://doi.org/10.2210/pdb7cjm/pdb]), the S111 was labeled in place of C111. b Binding pocket of FT671 (PDB 5NGE [https://doi.org/10.2210/pdb5gne/pdb], pink), XL188 (PDB 5VS6 [https://doi.org/10.2210/pdb5vs6/pdb], cyan), and ALM2 (PDB 5N9R [https://doi.org/10.2210/pdb5n9r/pdb], purple) in USP7 with active Cys223 label. c Binding pocket of IU1 (yellow) in USP14 (PDB 6IIK [https://doi.org/10.2210/pdb6iik/pdb]) with active Cys114 label; the BL1 and BL2 loops were labeled in (a, b, c). d Superposition of GRL0617, USP7, and USP14 in the ISG15 C-terminus binding pocket in SARS-CoV-2 PLpro.

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