10OH

Structure of Clostridium difficile Toxin B (TcdB) glucosyltransferase in complex with UDP and isofagomine analog 2-4

This is a non-PDB format compatible entry.

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)	Toxin B	polymer	552	64313.8	2	UniProt (P18177)	Clostridioides difficile
2	C, O (A, B)	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	2	Chemie (UDP)
3	D, P (A, B)	(2R,3R,4S,5S)-6-hydrazinyl-2-(hydroxymethyl)-2,3,4,5-tetrahydropyridine-3,4,5-triol	non-polymer		191.2	2	Chemie (A1C9K)
4	E, Q (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN) PubChem (27854)
5	F, G (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG) PubChem (8117)
6	H, I, J (A)	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
7	K, L, M, N, R... (A, B)	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
8	V, W (A, B)	water	water		18.0	777	Chemie (HOH)

Sequence modifications

A, B: 2 - 545 (UniProt: P18177)

PDB	External Database	Details
Met 0	-	expression tag
Gly 1	-	expression tag
Leu 544	Gly 544	conflict
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	19
	Total formula weight	2467.5
All*	Total formula weight	131095.2

*Water molecules are not included.