4KBB

Structure of Botulinum neurotoxin B binding domain in complex with both synaptotagmin II and GD1a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Botulinum neurotoxin type B	polymer	459	54915.8	2	UniProt (P10844) Pfam (PF07953) Pfam (PF07951) In PDB	Clostridium botulinum	BoNT/B, Bontoxilysin-B, Botulinum neurotoxin B light chain, Botulinum neurotoxin B heavy chain
2	C, D	Synaptotagmin-2	polymer	68	7556.2	2	UniProt (P46097) In PDB	Mus musculus (mouse)	Synaptotagmin II, SytII
3	E, F	N-acetyl-alpha-neuraminic acid-(2-3)-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		1290.1	2	In PDB GlyTouCan (G46677TE)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	B	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
6		water	water		18.0	264	Chemie (HOH)

Sequence modifications

A, B: 857 - 1291 (UniProt: P10844)

PDB	External Database	Details
Met 833	-	expression tag
Gly 834	-	expression tag
Ser 835	-	expression tag
Ser 836	-	expression tag
His 837	-	expression tag
His 838	-	expression tag
His 839	-	expression tag
His 840	-	expression tag
His 841	-	expression tag
His 842	-	expression tag
Ser 843	-	expression tag
Ser 844	-	expression tag
Gly 845	-	expression tag
Leu 846	-	expression tag
Val 847	-	expression tag
Pro 848	-	expression tag
Arg 849	-	expression tag
Gly 850	-	expression tag
Ser 851	-	expression tag
His 852	-	expression tag
Met 853	-	expression tag
Ala 854	-	expression tag
Ser 855	-	expression tag
Met 856	-	expression tag

C, D: 8 - 61 (UniProt: P46097)

PDB	External Database	Details
Glu 3	-	expression tag
Gly 4	-	expression tag
Trp 5	-	expression tag
Thr 6	-	expression tag
Glu 7	-	expression tag
Val 62	-	expression tag
Leu 63	-	expression tag
Glu 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	124944.0
Branched	Number of molecules	2
	Total formula weight	2580.3
Non-Polymers*	Number of molecules	3
	Total formula weight	95.2
All*	Total formula weight	127619.5

*Water molecules are not included.