7NT3

Crystal structure of SARS CoV2 main protease in complex with FSCU015

Summary for 7NT3

Entry DOI	10.2210/pdb7nt3/pdb
Descriptor	3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide, ... (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	68360.06
Authors	Oerlemans, R.,Eris, D.,Wang, M.,Sharpe, M.,Domling, A.,Groves, M.R. (deposition date: 2021-03-08, 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 (2.325 Å)

Structure validation