3ZUS

Crystal structure of an engineered botulinum neurotoxin type A- SNARE23 derivative, LC-A-SNAP23-Hn-A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	BOTULINUM NEUROTOXIN TYPE A, SYNAPTOSOMAL-ASSOCIATED PROTEIN 23	polymer	927	106299.9	4	UniProt (P10845) UniProt (O00161) Pfam (PF01742) Pfam (PF07952) UniProt (by SIFTS) (P0DPI1)	CLOSTRIDIUM BOTULINUM	BONT/A, BONTOXILYSIN-A, BOTOX, BOTULINUM NEUROTOXIN A LIGHT CHAIN, BOTULINUM NEUROTOXIN A HEAVY CHAIN, SNAP-23, VESICLE-MEMBRANE FUSION PROTEIN SNAP-23 PROTEIN
2	E, F, G, H (A, B, C, D)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	I, J, K, L (A, B, C, D)	water	water		18.0	70	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 431 (UniProt: P10845)

PDB	External Database	Details
Ala 0	-	expression tag
Met 1	-	expression tag
Glu 2	-	expression tag
Ala 27	Val 27	variant
Ala 496	-	linker
Asn 497	-	linker
Ser 498	-	linker
Ala 499	-	linker
Leu 500	-	linker
Ala 501	-	linker
Leu 502	-	linker
Gln 503	-	linker
Leu 916	-	expression tag
Glu 917	-	expression tag
Ala 918	-	expression tag
His 919	-	expression tag
His 920	-	expression tag
His 921	-	expression tag
His 922	-	expression tag
His 923	-	expression tag
His 924	-	expression tag
His 925	-	expression tag
His 926	-	expression tag
His 927	-	expression tag
His 928	-	expression tag

A, B, C, D: 504 - 915 (UniProt: P10845)
A, B, C, D: 432 - 493 (UniProt: O00161)

PDB	External Database	Details
Arg 466	Pro 182	SEE REMARK 999

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	425199.4
Non-Polymers*	Number of molecules	4
	Total formula weight	261.6
All*	Total formula weight	425461.1

*Water molecules are not included.