5RTJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000332752
Summary for 5RTJ
Entry DOI | 10.2210/pdb5rtj/pdb |
Group deposition | PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain fragment screen (G_1002165) |
Descriptor | Non-structural protein 3, P-HYDROXYBENZOIC ACID (3 entities in total) |
Functional Keywords | macrodomain, adp-ribose, sars-cov-2, viral protein, hydrolase |
Biological source | Severe acute respiratory syndrome coronavirus 2 (2019-nCoV) |
Total number of polymer chains | 2 |
Total formula weight | 36495.65 |
Authors | Correy, G.J.,Young, I.D.,Thompson, M.C.,Fraser, J.S. (deposition date: 2020-09-28, release date: 2020-12-16, Last modification date: 2024-05-22) |
Primary citation | Schuller, M.,Correy, G.J.,Gahbauer, S.,Fearon, D.,Wu, T.,Diaz, R.E.,Young, I.D.,Carvalho Martins, L.,Smith, D.H.,Schulze-Gahmen, U.,Owens, T.W.,Deshpande, I.,Merz, G.E.,Thwin, A.C.,Biel, J.T.,Peters, J.K.,Moritz, M.,Herrera, N.,Kratochvil, H.T.,Aimon, A.,Bennett, J.M.,Brandao Neto, J.,Cohen, A.E.,Dias, A.,Douangamath, A.,Dunnett, L.,Fedorov, O.,Ferla, M.P.,Fuchs, M.R.,Gorrie-Stone, T.J.,Holton, J.M.,Johnson, M.G.,Krojer, T.,Meigs, G.,Powell, A.J.,Rack, J.G.M.,Rangel, V.L.,Russi, S.,Skyner, R.E.,Smith, C.A.,Soares, A.S.,Wierman, J.L.,Zhu, K.,O'Brien, P.,Jura, N.,Ashworth, A.,Irwin, J.J.,Thompson, M.C.,Gestwicki, J.E.,von Delft, F.,Shoichet, B.K.,Fraser, J.S.,Ahel, I. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7:-, 2021 Cited by PubMed: 33853786DOI: 10.1126/sciadv.abf8711 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1 Å) |
Structure validation
Download full validation report![Download](/newweb/media/icons/dl.png)
![Download](/newweb/media/icons/dl.png)