7JQ2

Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI5

Summary for 7JQ2

• Entry DOI: 10.2210/pdb7jq2/pdb
• Descriptor: 3C-like proteinase, N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide (3 entities in total)
• Functional Keywords: covid-19, sars-cov-2, main protease, reversible covalent inhibitors, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• Total number of polymer chains: 1
• Total formula weight: 34386.23

Authors

Yang, K.,Liu, W. (deposition date: 2020-08-10, release date: 2020-12-23, Last modification date: 2023-11-15)

• Primary citation: Yang, K.S.,Ma, X.R.,Ma, Y.,Alugubelli, Y.R.,Scott, D.A.,Vatansever, E.C.,Drelich, A.K.,Sankaran, B.,Geng, Z.Z.,Blankenship, L.R.,Ward, H.E.,Sheng, Y.J.,Hsu, J.C.,Kratch, K.C.,Zhao, B.,Hayatshahi, H.S.,Liu, J.,Li, P.,Fierke, C.A.,Tseng, C.K.,Xu, S.,Liu, W.R.; A Quick Route to Multiple Highly Potent SARS-CoV-2 Main Protease Inhibitors*.; Chemmedchem, 16:942-948, 2021; PubMed: 33283984; DOI: 10.1002/cmdc.202000924

Experimental method

X-RAY DIFFRACTION (1.4 Å)