6XT3

Crystal structure of E.coli DsbA in complex with 3-(3-(carboxymethyl)-6-(3-methoxyphenyl)benzofuran-2-yl)benzoic acid

6XT3 の概要

• エントリーDOI: 10.2210/pdb6xt3/pdb
• 分子名称: Thiol:disulfide interchange protein DsbA, 3-[3-(carboxymethyl)-6-(3-methoxyphenyl)-1-benzofuran-2-yl]benzoic acid, COPPER (II) ION, ... (4 entities in total)
• 機能のキーワード: inhibitor, complex, disulfide oxidoreductase, fragments, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase, oxidoreductase-inhibitor complex, 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: 42775.99

構造登録者

Wang, G.,Heras, B. (登録日: 2020-07-17, 公開日: 2021-08-11, 最終更新日: 2023-10-18)

• 主引用文献: Duncan, L.F.,Wang, G.,Ilyichova, O.V.,Dhouib, R.,Totsika, M.,Scanlon, M.J.,Heras, B.,Abbott, B.M.; Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.; Bioorg.Med.Chem., 45:116315-116315, 2021; PubMed: 34364222; DOI: 10.1016/j.bmc.2021.116315

実験手法

X-RAY DIFFRACTION (1.99 Å)