3DWQ

Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E	Subtilase cytotoxin, subunit B	polymer	126	14033.6	5	UniProt (Q3ZTX8) In PDB	Escherichia coli	SubB
2	F, G, H, I	N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose	branched		690.6	4	In PDB GlyTouCan (G23068ZB)
3	A, C, D, E	N-PROPANOL	non-polymer		60.1	4	Chemie (POL)
4	A, C, D, E	AZIDE ION	non-polymer		42.0	4	Chemie (AZI)
5	A, B, D, E	PENTAETHYLENE GLYCOL	non-polymer		238.3	5	Chemie (1PE)
6		water	water		18.0	556	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 118 (UniProt: Q3ZTX8)

PDB	External Database	Details
Leu 119	-	expression tag
Glu 120	-	expression tag
His 121	-	expression tag
His 122	-	expression tag
His 123	-	expression tag
His 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	70168.0
Branched	Number of molecules	4
	Total formula weight	2762.4
Non-Polymers*	Number of molecules	13
	Total formula weight	1599.8
All*	Total formula weight	74530.3

*Water molecules are not included.