13RR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004678

This is a non-PDB format compatible entry.

Summary for 13RR

• Entry DOI: 10.2210/pdb13rr/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain ligand screen - analogues leading to AVI-6451 (G_1002356)
• Descriptor: Non-structural protein 3, (2R)-2-{[(6P)-6-(2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-3-methylbutan-1-ol, CHLORIDE ION, ... (4 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: 36707.34

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2025-10-09, release date: 2026-01-28)

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

Experimental method

X-RAY DIFFRACTION (0.99 Å)