4L6T

GM1 bound form of the ECX AB5 holotoxin

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	ECXA	polymer	266	29492.9	1	UniProt (Q8GAV4) Pfam (PF16313) In PDB	Escherichia coli
2	B, C, D, E, F	ECXB	polymer	112	12775.5	5	UniProt (Q8GAV3) Pfam (PF01376) In PDB	Escherichia coli
3	G, H, I, J, K	beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		998.9	5	In PDB GlyTouCan (G48558GR)
4	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5		water	water		18.0	561	Chemie (HOH)

Sequence modifications

A: 21 - 284 (UniProt: Q8GAV4)

PDB	External Database	Details
Met 20	-	initiating methionine

B, C, D, E, F: 23 - 125 (UniProt: Q8GAV3)

PDB	External Database	Details
Met 22	-	initiating methionine
Leu 126	-	expression tag
Glu 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag
His 132	-	expression tag
His 133	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	93370.2
Branched	Number of molecules	5
	Total formula weight	4994.4
Non-Polymers*	Number of molecules	1
	Total formula weight	65.4
All*	Total formula weight	98430.1

*Water molecules are not included.