7BF5

Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP)

Summary for 7BF5

• Entry DOI: 10.2210/pdb7bf5/pdb
• Descriptor: NSP3 macrodomain, MAGNESIUM ION, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, ... (5 entities in total)
• Functional Keywords: nsp3, macrodomain, sars-cov-2, adp-ribose-phosphate, adprp, covid-19, structural genomics, structural genomics consortium, sgc, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 5
• Total formula weight: 96694.71

Authors

Ni, X.,Knapp, S.,Chaikuad, A.,Structural Genomics Consortium,Structural Genomics Consortium (SGC) (deposition date: 2020-12-31, release date: 2021-01-13, Last modification date: 2024-01-31)

• Primary citation: Ni, X.,Schroder, M.,Olieric, V.,Sharpe, M.E.,Hernandez-Olmos, V.,Proschak, E.,Merk, D.,Knapp, S.,Chaikuad, A.; Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.; Acs Med.Chem.Lett., 12:603-609, 2021; PubMed: 33850605; DOI: 10.1021/acsmedchemlett.0c00684

Experimental method

X-RAY DIFFRACTION (2.05 Å)