13VC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000681

This is a non-PDB format compatible entry.

Summary for 13VC

• Entry DOI: 10.2210/pdb13vc/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain ligand screen - AVI-219 analogues (G_1002361)
• Descriptor: Non-structural protein 3, (5S)-1-[(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one (3 entities in total)
• Functional Keywords: macrodomain, adp-ribose, sars-cov-2, fragment-based drug discovery, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 37025.12

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2025-11-21, release date: 2026-09-02)

• Primary citation: Correy, G.J.,Fraser, J.S.; Ligand screen against SARS-CoV-2 NSP3 macrodomain; To be published,

Experimental method

X-RAY DIFFRACTION (1 Å)