6PC9

Crystal Structure of EcDsbA in a complex with purified methylpiperazinone 6

6PC9 の概要

• エントリーDOI: 10.2210/pdb6pc9/pdb
• 分子名称: Thiol:disulfide interchange protein DsbA, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, TRIETHYLENE GLYCOL, ... (4 entities in total)
• 機能のキーワード: disulfide oxidoreductase, redox protein, oxidoreductase-inhibitor complex, refilx, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Escherichia coli (strain K12)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 42823.63

構造登録者

Ilyichova, O.V.,Bentley, M.,Doak, B.,Scanlon, M.J. (登録日: 2019-06-17, 公開日: 2020-05-20, 最終更新日: 2023-10-11)

• 主引用文献: Bentley, M.R.,Ilyichova, O.V.,Wang, G.,Williams, M.L.,Sharma, G.,Alwan, W.S.,Whitehouse, R.L.,Mohanty, B.,Scammells, P.J.,Heras, B.,Martin, J.L.,Totsika, M.,Capuano, B.,Doak, B.C.,Scanlon, M.J.; Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).; J.Med.Chem., 63:6863-6875, 2020; PubMed: 32529824; DOI: 10.1021/acs.jmedchem.0c00111

実験手法

X-RAY DIFFRACTION (2.3 Å)