8FG8

Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one

Summary for 8FG8

Entry DOI	10.2210/pdb8fg8/pdb
Descriptor	Glucosyltransferase-I, CALCIUM ION, (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, ... (6 entities in total)
Functional Keywords	gtfb, gtf-i, catalytic domain, inhibitor, transferase-inhibitor complex, transferase/inhibitor
Biological source	Streptococcus mutans
Total number of polymer chains	2
Total formula weight	198405.67
Authors	Schormann, N.,Deivanayagam, C.,Velu, S. (deposition date: 2022-12-12, release date: 2023-06-14, Last modification date: 2023-10-25)
Primary citation	Ahirwar, P.,Kozlovskaya, V.,Nijampatnam, B.,Rojas, E.M.,Pukkanasut, P.,Inman, D.,Dolmat, M.,Law, A.C.,Schormann, N.,Deivanayagam, C.,Harber, G.J.,Michalek, S.M.,Wu, H.,Kharlampieva, E.,Velu, S.E. Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans . J.Med.Chem., 66:7909-7925, 2023 Cited by PubMed: 37285134 DOI: 10.1021/acs.jmedchem.3c00272 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.35 Å)

Structure validation