8GIA

Crystal structure of SARS-CoV-2 (Covid-19) Nsp3 macrodomain in complex with TFMU-ADPr

Summary for 8GIA

• Entry DOI: 10.2210/pdb8gia/pdb
• Descriptor: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate (3 entities in total)
• Functional Keywords: macrodomain, sars-cov, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 38094.42

Authors

Wallace, S.D.,Bagde, S.R.,Fromme, J.C. (deposition date: 2023-03-13, release date: 2023-05-17, Last modification date: 2023-10-25)

• Primary citation: Anmangandla, A.,Jana, S.,Peng, K.,Wallace, S.D.,Bagde, S.R.,Drown, B.S.,Xu, J.,Hergenrother, P.J.,Fromme, J.C.,Lin, H.; A Fluorescence Polarization Assay for Macrodomains Facilitates the Identification of Potent Inhibitors of the SARS-CoV-2 Macrodomain.; Acs Chem.Biol., 18:1200-1207, 2023; PubMed: 37126856; DOI: 10.1021/acschembio.3c00092

Experimental method

X-RAY DIFFRACTION (1.86 Å)