8UF5

Catalytic domain of GtfB in complex with inhibitor G43

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Glucosyltransferase-I	polymer	869	97510.5	2	UniProt (P08987) Pfam (PF02324)	Streptococcus mutans	GTF-I,Dextransucrase,Sucrose 6-glucosyltransferase
2	C, H (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
3	D, I (A, B)	N-(2-carbamoylphenyl)-5-nitro-1-benzothiophene-2-carboxamide	non-polymer		341.3	2	Chemie (WIJ)
4	E, J (A, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	2	Chemie (BTB)
5	F, G, N, O, P... (A, B)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
6	K, L (B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
7	M (B)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
8	R, S (A, B)	water	water		18.0	387	Chemie (HOH)

Sequence modifications

A, B: 191 - 1051 (UniProt: P08987)

PDB	External Database	Details
Leu 1052	-	expression tag
Glu 1053	-	expression tag
His 1054	-	expression tag
His 1055	-	expression tag
His 1056	-	expression tag
His 1057	-	expression tag
His 1058	-	expression tag
His 1059	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	195021.0
Non-Polymers*	Number of molecules	15
	Total formula weight	1960.0
All*	Total formula weight	196980.9

*Water molecules are not included.