7LOV

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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Toxin B	polymer	552	64313.8	2	UniProt (P18177) Pfam (PF12918) Pfam (PF12919) In PDB	Clostridioides difficile (Peptoclostridium difficile)
2	A, B	(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL	non-polymer		163.2	2	Chemie (NOY)
3	A, B	URIDINE-5'-DIPHOSPHATE	non-polymer		404.2	2	Chemie (UDP)
4	A, B	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
5	A, B	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
6		water	water		18.0	223	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	11
	Total formula weight	1705.0
All*	Total formula weight	130332.7

*Water molecules are not included.