7K6D

SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected)

7K6D の概要

• エントリーDOI: 10.2210/pdb7k6d/pdb
• 関連するBIRD辞書のPRD_ID: PRD_002448
• 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, (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, ... (4 entities in total)
• 機能のキーワード: sars-cov-2, main protease, 3clpro/mpro, telaprevir, viral protein, acoustic drop ejection, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Severe acute respiratory syndrome coronavirus 2 (2019-nCoV, SARS-CoV-2, COVID-19 virus)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34585.54

構造登録者

Kreitler, D.F.,Andi, B.,Kumaran, D.,Soares, A.S.,Shi, W.,Jakoncic, J.,Fuchs, M.R.,Keereetaweep, J.,Shanklin, J.,McSweeney, S. (登録日: 2020-09-19, 公開日: 2020-09-30, 最終更新日: 2023-10-18)

• 主引用文献: Andi, B.,Kumaran, D.,Kreitler, D.F.,Soares, A.S.,Keereetaweep, J.,Jakoncic, J.,Lazo, E.O.,Shi, W.,Fuchs, M.R.,Sweet, R.M.,Shanklin, J.,Adams, P.D.,Schmidt, J.G.,Head, M.S.,McSweeney, S.; Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.; Sci Rep, 12:12197-12197, 2022; PubMed: 35842458; DOI: 10.1038/s41598-022-15930-z

実験手法

X-RAY DIFFRACTION (1.48 Å)