6PVZ

E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid)

Summary for 6PVZ

• Entry DOI: 10.2210/pdb6pvz/pdb
• Descriptor: Thiol:disulfide interchange protein DsbA, (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, ... (4 entities in total)
• Functional Keywords: inhibitor, complex, disulfide oxidoreductase, fragments, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 2
• Total formula weight: 42639.89

Authors

Wang, G.,Heras, B. (deposition date: 2019-07-21, release date: 2019-12-25, Last modification date: 2020-10-07)

• Primary citation: Duncan, L.F.,Wang, G.,Ilyichova, O.V.,Scanlon, M.J.,Heras, B.,Abbott, B.M.; The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors.; Molecules, 24:-, 2019; PubMed: 31635355; DOI: 10.3390/molecules24203756

Experimental method

X-RAY DIFFRACTION (1.99 Å)