4JRA

CRYSTAL STRUCTURE OF THE BOTULINUM NEUROTOXIN A RECEPTOR-BINDING DOMAIN IN COMPLEX WITH THE LUMINAL DOMAIN Of SV2C

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 A	polymer	443	51724.6	2	UniProt (P10845) Pfam (PF07953) Pfam (PF07951) UniProt (by SIFTS) (P0DPI1) In PDB	Clostridium botulinum	BoNT/A, Bontoxilysin-A, BOTOX, Botulinum neurotoxin A light chain, Botulinum neurotoxin A heavy chain
2	C, D	Synaptic vesicle glycoprotein 2C	polymer	136	15984.9	2	UniProt (Q496J9) Pfam (PF13599) In PDB	Homo sapiens (human)
3	A	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
4	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
5		water	water		18.0	82	Chemie (HOH)

Sequence modifications

A, B: 871 - 1296 (UniProt: P10845)

PDB	External Database	Details
Met 854	-	expression tag
Lys 855	-	expression tag
Lys 856	-	expression tag
His 857	-	expression tag
His 858	-	expression tag
His 859	-	expression tag
His 860	-	expression tag
His 861	-	expression tag
His 862	-	expression tag
Gly 863	-	expression tag
Ser 864	-	expression tag
Leu 865	-	expression tag
Val 866	-	expression tag
Pro 867	-	expression tag
Arg 868	-	expression tag
Gly 869	-	expression tag
Ser 870	-	expression tag

C, D: 456 - 574 (UniProt: Q496J9)

PDB	External Database	Details
Met 439	-	expression tag
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	4
	Total formula weight	135419.0
Non-Polymers*	Number of molecules	8
	Total formula weight	258.7
All*	Total formula weight	135677.7

*Water molecules are not included.