8E4W

Crystal Structure of SARS CoV-2 Mpro mutant N142P with Pfizer Intravenous Inhibitor PF-00835231

Summary for 8E4W

• Entry DOI: 10.2210/pdb8e4w/pdb
• Descriptor: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (3 entities in total)
• Functional Keywords: coronavirus, covid-19, covid, protease, drug resistance, complex, hydrolase, durg discovery, main protease, mpro, substrate complex, pfizer iv compound, pf-00835231, viral protein, n142p, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• Total number of polymer chains: 2
• Total formula weight: 68566.22

Authors

Shaqra, A.M.,Schiffer, C.A. (deposition date: 2022-08-19, release date: 2024-02-07, Last modification date: 2024-04-24)

• Primary citation: Flynn, J.M.,Zvornicanin, S.N.,Tsepal, T.,Shaqra, A.M.,Kurt Yilmaz, N.,Jia, W.,Moquin, S.,Dovala, D.,Schiffer, C.A.,Bolon, D.N.A.; Contributions of Hyperactive Mutations in M pro from SARS-CoV-2 to Drug Resistance.; Acs Infect Dis., 10:1174-1184, 2024; PubMed: 38472113; DOI: 10.1021/acsinfecdis.3c00560

Experimental method

X-RAY DIFFRACTION (2.75 Å)