5ETX

Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue)

5ETX の概要

• エントリーDOI: 10.2210/pdb5etx/pdb
• 関連するPDBエントリー: 3SUD 3SUE 3SUG 5EPN 5EPY 5EQQ 5EQR 5EQS 5ESB
• 分子名称: NS3 protease, ZINC ION, ~{tert}-butyl ~{N}-[(2~{S})-1-[(2~{S},4~{R})-2-[[(1~{R},2~{R})-1-(cyclopropylsulfonylcarbamoyl)-2-ethyl-cyclopropyl]carbamoyl]-4-(3-ethyl-7-methoxy-quinoxalin-2-yl)oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate, ... (5 entities in total)
• 機能のキーワード: macrocyclization, mk-5172 analogue, grazoprevir, hcv protease inhibitor resistance, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Hepatitis C virus
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 85862.02

構造登録者

Soumana, D.,Yilmaz, N.K.,Ali, A.,Prachanronarong, K.L.,Aydin, C.,Schiffer, C.A. (登録日: 2015-11-18, 公開日: 2016-01-13, 最終更新日: 2023-09-27)

• 主引用文献: Soumana, D.I.,Kurt Yilmaz, N.,Prachanronarong, K.L.,Aydin, C.,Ali, A.,Schiffer, C.A.; Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.; Acs Chem.Biol., 11:900-909, 2016; PubMed: 26682473; DOI: 10.1021/acschembio.5b00647

実験手法

X-RAY DIFFRACTION (2.35 Å)