7NUK

Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map)

Summary for 7NUK

Entry DOI	10.2210/pdb7nuk/pdb
Descriptor	3C-like proteinase, DIMETHYL SULFOXIDE, 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, ... (4 entities in total)
Functional Keywords	protease, complex, viral protein
Biological source	Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
Total number of polymer chains	2
Total formula weight	68262.39
Authors	Oerlemans, R.,Eris, D.,Wang, M.,Sharpe, M.,Domling, A.,Groves, M.R. (deposition date: 2021-03-12, release date: 2021-06-16, Last modification date: 2024-01-31)
Primary citation	Sutanto, F.,Shaabani, S.,Oerlemans, R.,Eris, D.,Patil, P.,Hadian, M.,Wang, M.,Sharpe, M.E.,Groves, M.R.,Domling, A. Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification. Angew.Chem.Int.Ed.Engl., 60:18231-18239, 2021 Cited by PubMed: 34097796 DOI: 10.1002/anie.202105584 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.19 Å)

Structure validation