7LOU

Crystal structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine

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 TcdB	polymer	552	64313.8	2	UniProt (P18177) Pfam (PF12918) Pfam (PF12919)	Clostridioides difficile (Peptoclostridium difficile)
2	C, D, E, F, G... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	19	Chemie (EDO)
3	L, Y (A, B)	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	2	Chemie (UDP)
4	M, Z (A, B)	5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE	non-polymer		147.2	2	Chemie (IFM)
5	AA, N (B, A)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
6	BA, CA (A, B)	water	water		18.0	487	Chemie (HOH)

Sequence modifications

A, B: 2 - 543 (UniProt: P18177)

PDB	External Database	Details
Met 0	-	expression tag
Gly 1	-	expression tag
Leu 544	-	expression tag
Glu 545	-	expression tag
His 546	-	expression tag
His 547	-	expression tag
His 548	-	expression tag
His 549	-	expression tag
His 550	-	expression tag
His 551	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128627.7
Non-Polymers*	Number of molecules	25
	Total formula weight	2391.8
All*	Total formula weight	131019.5

*Water molecules are not included.