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6XQS

Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Telaprevir

Summary for 6XQS
Entry DOI10.2210/pdb6xqs/pdb
Descriptor3C-like proteinase, (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide (3 entities in total)
Functional Keywords3c like proteinase, viral protein, viral protein-hydrolase complex, viral protein/hydrolase
Biological sourceSevere acute respiratory syndrome coronavirus 2 (2019-nCoV)
Total number of polymer chains1
Total formula weight34507.41
Authors
Kneller, D.W.,Kovalevsky, A.,Coates, L. (deposition date: 2020-07-10, release date: 2020-07-22, Last modification date: 2023-10-18)
Primary citationKneller, D.W.,Galanie, S.,Phillips, G.,O'Neill, H.M.,Coates, L.,Kovalevsky, A.
Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals.
Structure, 28:1313-, 2020
Cited by
PubMed: 33152262
DOI: 10.1016/j.str.2020.10.007
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.9 Å)
Structure validation

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