7OVW

Binding domain of botulinum neurotoxin E in complex with GD1a

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 (AAA, BBB)	Neurotoxin type E	polymer	468	54329.5	2	UniProt (A5H0J8)	Clostridium botulinum
2	C (GGG)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose	branched		998.9	1	In PDB GlyTouCan (G03277YI)
3	D (HHH)	N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose	branched		836.7	1	In PDB GlyTouCan (G02162KR)
4	E, F (AAA, BBB)	water	water		18.0	297	Chemie (HOH)

Sequence modifications

AAA, BBB: 820 - 1252 (UniProt: A5H0J8)

PDB	External Database	Details
Met 785	-	initiating methionine
Gly 786	-	expression tag
Ser 787	-	expression tag
Ser 788	-	expression tag
His 789	-	expression tag
His 790	-	expression tag
His 791	-	expression tag
His 792	-	expression tag
His 793	-	expression tag
His 794	-	expression tag
Ser 795	-	expression tag
Ser 796	-	expression tag
Gly 797	-	expression tag
Leu 798	-	expression tag
Val 799	-	expression tag
Pro 800	-	expression tag
Arg 801	-	expression tag
Gly 802	-	expression tag
Ser 803	-	expression tag
His 804	-	expression tag
Met 805	-	expression tag
Ala 806	-	expression tag
Ser 807	-	expression tag
Met 808	-	expression tag
Tyr 809	-	expression tag
Pro 810	-	expression tag
Tyr 811	-	expression tag
Asp 812	-	expression tag
Val 813	-	expression tag
Pro 814	-	expression tag
Asp 815	-	expression tag
Tyr 816	-	expression tag
Ala 817	-	expression tag
Gly 818	-	expression tag
Ser 819	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	108659.1
Branched	Number of molecules	2
	Total formula weight	1835.6
All*	Total formula weight	110494.7

*Water molecules are not included.