7QT8

Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957

Summary for 7QT8

• Entry DOI: 10.2210/pdb7qt8/pdb
• Descriptor: 3C-like proteinase, (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide (3 entities in total)
• Functional Keywords: protease, dimer, main protease, sars-cov-2, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2
• Total number of polymer chains: 2
• Total formula weight: 68624.22

Authors

Horrell, S.,Gildae, R.J.,Axford, D.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.,Owen, R.L.,Walsh, M.A. (deposition date: 2022-01-14, release date: 2022-05-04, Last modification date: 2024-01-31)

• Primary citation: Gildea, R.J.,Beilsten-Edmands, J.,Axford, D.,Horrell, S.,Aller, P.,Sandy, J.,Sanchez-Weatherby, J.,Owen, C.D.,Lukacik, P.,Strain-Damerell, C.,Owen, R.L.,Walsh, M.A.,Winter, G.; xia2.multiplex: a multi-crystal data-analysis pipeline.; Acta Crystallogr D Struct Biol, 78:752-769, 2022; PubMed: 35647922; DOI: 10.1107/S2059798322004399

Experimental method

X-RAY DIFFRACTION (2.01 Å)