7S1L

Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72)

7S1L の概要

• エントリーDOI: 10.2210/pdb7s1l/pdb
• 分子名称: Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate, COPPER (II) ION, ... (4 entities in total)
• 機能のキーワード: thioredoxin fold, thiol-disulfide oxidoreductase, inhibitor, dsba, 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: 42780.63

構造登録者

Heras, B.,Scanlon, M.J.,Martin, J.L.,Caria, S. (登録日: 2021-09-02, 公開日: 2023-02-08, 最終更新日: 2024-04-03)

• 主引用文献: Bradley, C.D.,Whitehouse, R.L.,Rimmer, K.,Williams, M.,Heras, B.,Caria, S.,Ilyichova, O.,Vazirani, M.,Mohanty, B.,Harper, J.,Scanlon, M.J.,Simpson, J.S.; Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates; Chemrxiv, 2022; DOI: 10.26434/chemrxiv-2022-262lh

実験手法

X-RAY DIFFRACTION (1.623 Å)