7C7P

Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir

Summary for 7C7P

• Entry DOI: 10.2210/pdb7c7p/pdb
• Descriptor: 3C-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, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: coronavirus, protease, inhibitor, complex., viral protein
• Biological source: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• Total number of polymer chains: 2
• Total formula weight: 69085.73

Authors

Zeng, R.,Qiao, J.X.,Wang, Y.F.,Li, Y.S.,Yao, R.,Yang, S.Y.,Lei, J. (deposition date: 2020-05-26, release date: 2020-07-29, Last modification date: 2023-11-29)

• Primary citation: Qiao, J.,Li, Y.S.,Zeng, R.,Liu, F.L.,Luo, R.H.,Huang, C.,Wang, Y.F.,Zhang, J.,Quan, B.,Shen, C.,Mao, X.,Liu, X.,Sun, W.,Yang, W.,Ni, X.,Wang, K.,Xu, L.,Duan, Z.L.,Zou, Q.C.,Zhang, H.L.,Qu, W.,Long, Y.H.,Li, M.H.,Yang, R.C.,Liu, X.,You, J.,Zhou, Y.,Yao, R.,Li, W.P.,Liu, J.M.,Chen, P.,Liu, Y.,Lin, G.F.,Yang, X.,Zou, J.,Li, L.,Hu, Y.,Lu, G.W.,Li, W.M.,Wei, Y.Q.,Zheng, Y.T.,Lei, J.,Yang, S.; SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.; Science, 371:1374-1378, 2021; PubMed: 33602867; DOI: 10.1126/science.abf1611

Experimental method

X-RAY DIFFRACTION (1.74 Å)