5MOY

Crystal structure of the BoNT/A2 receptor-binding domain in complex with the luminal domain of its neuronal receptor SV2C

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Botulinum neurotoxin type A	polymer	428	49600.3	1	UniProt (Q45894) Pfam (PF07953) Pfam (PF07951) In PDB	Clostridium botulinum	BoNT/A,Bontoxilysin-A,BOTOX
2	B	Synaptic vesicle glycoprotein 2C	polymer	136	15984.9	1	UniProt (Q496J9) Pfam (PF13599) In PDB	Homo sapiens (Human)
3	A	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	A	NONAETHYLENE GLYCOL	non-polymer		414.5	1	Chemie (2PE)
5		water	water		18.0	76	Chemie (HOH)

Sequence modifications

A: 871 - 1296 (UniProt: Q45894)

PDB	External Database	Details
Gly 869	-	expression tag
Ser 870	-	expression tag

B: 456 - 574 (UniProt: Q496J9)

PDB	External Database	Details
Met 439	-	initiating methionine
Lys 440	-	expression tag
Lys 441	-	expression tag
His 442	-	expression tag
His 443	-	expression tag
His 444	-	expression tag
His 445	-	expression tag
His 446	-	expression tag
His 447	-	expression tag
Gly 448	-	expression tag
Ser 449	-	expression tag
Leu 450	-	expression tag
Val 451	-	expression tag
Pro 452	-	expression tag
Arg 453	-	expression tag
Gly 454	-	expression tag
Ser 455	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65585.2
Non-Polymers*	Number of molecules	2
	Total formula weight	476.6
All*	Total formula weight	66061.8

*Water molecules are not included.