7HPY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_91

This is a non-PDB format compatible entry.

Summary for 7HPY

• Entry DOI: 10.2210/pdb7hpy/pdb
• Group deposition: PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain ligand screen - ligands from CACHE Challenge #3 (G_1002327)
• Descriptor: Non-structural protein 3, (1s,3s)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-3-methylcyclobutan-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: 36679.29

Authors

Correy, G.J.,Fraser, J.S. (deposition date: 2024-12-08, release date: 2025-08-20)

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

Experimental method

X-RAY DIFFRACTION (1.02 Å)