6ES1

Crystal structure of the binding domain from botulinum neurotoxin A2 bound to extracellular domain of human 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	445	51643.5	1	UniProt (Q45894) Pfam (PF07953) Pfam (PF07951) In PDB	Clostridium botulinum	BoNT/A,Bontoxilysin-A,BOTOX
2	B	Synaptic vesicle glycoprotein 2C	polymer	117	13878.4	1	UniProt (Q496J9) Pfam (PF13599) In PDB	Homo sapiens (Human)
3	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4		water	water		18.0	359	Chemie (HOH)

Sequence modifications

A: 874 - 1296 (UniProt: Q45894)

PDB	External Database	Details
Met 852	-	initiating methionine
Gly 853	-	expression tag
Ser 854	-	expression tag
Ser 855	-	expression tag
His 856	-	expression tag
His 857	-	expression tag
His 858	-	expression tag
His 859	-	expression tag
His 860	-	expression tag
His 861	-	expression tag
Ser 862	-	expression tag
Ser 863	-	expression tag
Gly 864	-	expression tag
Glu 865	-	expression tag
Asn 866	-	expression tag
Leu 867	-	expression tag
Tyr 868	-	expression tag
Phe 869	-	expression tag
Gln 870	-	expression tag
Gly 871	-	expression tag
His 872	-	expression tag
Met 873	-	expression tag

B: 474 - 567 (UniProt: Q496J9)

PDB	External Database	Details
Met 451	-	initiating methionine
His 452	-	expression tag
His 453	-	expression tag
His 454	-	expression tag
His 455	-	expression tag
His 456	-	expression tag
His 457	-	expression tag
Ser 458	-	expression tag
Ser 459	-	expression tag
Gly 460	-	expression tag
Val 461	-	expression tag
Asp 462	-	expression tag
Leu 463	-	expression tag
Gly 464	-	expression tag
Thr 465	-	expression tag
Glu 466	-	expression tag
Asn 467	-	expression tag
Leu 468	-	expression tag
Tyr 469	-	expression tag
Phe 470	-	expression tag
Gln 471	-	expression tag
Ser 472	-	expression tag
Met 473	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65521.8
Non-Polymers*	Number of molecules	1
	Total formula weight	59.0
All*	Total formula weight	65580.9

*Water molecules are not included.