7CA8

The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin

7CA8 の概要

• エントリーDOI: 10.2210/pdb7ca8/pdb
• 分子名称: 3C-like proteinase, 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione (3 entities in total)
• 機能のキーワード: viral protein, main protease, inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 66237.52

構造登録者

Zhou, X.L.,Zhong, F.L.,Lin, C.,Li, J.,Zhang, J. (登録日: 2020-06-08, 公開日: 2021-04-07, 最終更新日: 2023-11-29)

• 主引用文献: Li, J.,Zhou, X.,Zhang, Y.,Zhong, F.,Lin, C.,McCormick, P.J.,Jiang, F.,Luo, J.,Zhou, H.,Wang, Q.,Fu, Y.,Duan, J.,Zhang, J.; Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.; Sci Bull (Beijing), 66:661-663, 2021; PubMed: 33163253; DOI: 10.1016/j.scib.2020.10.018

実験手法

X-RAY DIFFRACTION (2.45 Å)