7DPU

SARS-CoV-2 3CL protease (3CLpro) in complex with 7-O-methyl-myricetin

Summary for 7DPU

• Entry DOI: 10.2210/pdb7dpu/pdb
• Descriptor: 3C-like proteinase, 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, GLYCEROL, ... (4 entities in total)
• Functional Keywords: sars-cov-2, 3clpro, inhibitor, complex, myricetin, viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 2
• Total formula weight: 68407.71

Authors

Su, H.X.,Zhao, W.F.,Xie, H.,Li, M.J.,Xu, Y.C. (deposition date: 2020-12-21, release date: 2021-05-12, Last modification date: 2023-11-29)

• Primary citation: Su, H.,Yao, S.,Zhao, W.,Zhang, Y.,Liu, J.,Shao, Q.,Wang, Q.,Li, M.,Xie, H.,Shang, W.,Ke, C.,Feng, L.,Jiang, X.,Shen, J.,Xiao, G.,Jiang, H.,Zhang, L.,Ye, Y.,Xu, Y.; Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease.; Nat Commun, 12:3623-3623, 2021; PubMed: 34131140; DOI: 10.1038/s41467-021-23751-3

Experimental method

X-RAY DIFFRACTION (1.75 Å)