7RME

Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with HL-3-52

7RME の概要

• エントリーDOI: 10.2210/pdb7rme/pdb
• 関連するPDBエントリー: 7RMB
• 分子名称: 3C-like proteinase, 6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione (3 entities in total)
• 機能のキーワード: cysteine protease, inhibitor complex, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34228.30

構造登録者

Kovalevsky, A.,Kneller, D.W.,Coates, L. (登録日: 2021-07-27, 公開日: 2021-11-10, 最終更新日: 2023-10-18)

• 主引用文献: Kneller, D.W.,Li, H.,Galanie, S.,Phillips, G.,Labbe, A.,Weiss, K.L.,Zhang, Q.,Arnould, M.A.,Clyde, A.,Ma, H.,Ramanathan, A.,Jonsson, C.B.,Head, M.S.,Coates, L.,Louis, J.M.,Bonnesen, P.V.,Kovalevsky, A.; Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.; J.Med.Chem., 64:17366-17383, 2021; PubMed: 34705466; DOI: 10.1021/acs.jmedchem.1c01475

実験手法

X-RAY DIFFRACTION (2 Å)