3QIX

Crystal Structure of BoNT/A LC with Zinc bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Botulinum neurotoxin type A	polymer	430	49375.7	2	UniProt (A5HZZ9) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1)	Clostridium botulinum	BoNT/A, Bontoxilysin-A, BOTOX
2	C (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
3	D, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G (A, B)	water	water		18.0	122	Chemie (HOH)

Sequence modifications

A, B: 3 - 424 (UniProt: A5HZZ9)

PDB	External Database	Details
Met 1	-	expression tag
Gly 2	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag
His 428	-	expression tag
His 429	-	expression tag
His 430	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	98751.3
Non-Polymers*	Number of molecules	3
	Total formula weight	192.9
All*	Total formula weight	98944.2

*Water molecules are not included.