7EO7

Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin

Summary for 7EO7

• Entry DOI: 10.2210/pdb7eo7/pdb
• Descriptor: 3C-like proteinase, 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione (3 entities in total)
• Functional Keywords: hcov, viral protein
• Biological source: Human coronavirus NL63 (HCoV-NL63)
• Total number of polymer chains: 2
• Total formula weight: 65814.55

Authors

Gao, H.X.,Zhang, Y.T.,Zhou, X.L.,Zhong, F.L.,Li, J.,Zhang, J. (deposition date: 2021-04-21, release date: 2021-10-20, Last modification date: 2023-11-29)

• Primary citation: Zhang, Y.,Gao, H.,Hu, X.,Wang, Q.,Zhong, F.,Zhou, X.,Lin, C.,Yang, Y.,Wei, J.,Du, W.,Huang, H.,Zhou, H.,He, W.,Zhang, H.,Zhang, Y.,McCormick, P.J.,Fu, J.,Wang, D.,Fu, Y.,Lu, X.,Zhang, T.,Duan, J.,Qin, B.,Jiang, H.,Luo, J.,Zhang, Y.,Chen, Q.,Luo, Q.,Cheng, L.,Zhang, Z.,Zhang, J.,Li, J.; Structure-Based Discovery and Structural Basis of a Novel Broad-Spectrum Natural Product against the Main Protease of Coronavirus.; J.Virol., 96:e0125321-e0125321, 2022; PubMed: 34586857; DOI: 10.1128/JVI.01253-21

Experimental method

X-RAY DIFFRACTION (2.24916621935 Å)