6FE6

Solution structure of a last generation P2-P4 macrocyclic inhibitor

6FE6 の概要

• エントリーDOI: 10.2210/pdb6fe6/pdb
• NMR情報: BMRB: 34225
• 分子名称: Non-structural 3 protease, (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, ZINC ION (3 entities in total)
• 機能のキーワード: ns3 protease, inhibitor, complex, hcv, viral protein
• 由来する生物種: Hepatitis C virus subtype 1b
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18286.33

構造登録者

Gallo, M.,Eliseo, T.,Cicero, D.O. (登録日: 2017-12-29, 公開日: 2019-01-30, 最終更新日: 2024-05-15)

• 主引用文献: Gallo, M.,Eliseo, T.,Monteagudo, E.S.,Sabetta, S.,Paci, M.,Summa, V.,Cicero, D.O.; Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A.; To Be Published,

実験手法

SOLUTION NMR