5VGV

Structure of the C. botulinum neurotoxin serotype A with Cu bound

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Botulinum neurotoxin type A	polymer	441	50602.0	1	UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1)	Clostridium botulinum	BoNT/A,Bontoxilysin-A,BOTOX
2	B, C (A)	COPPER (II) ION	non-polymer		63.5	2	Chemie (CU)
3	D (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	E (A)	water	water		18.0	13	Chemie (HOH)

Sequence modifications

A: 1 - 425 (UniProt: P10845)

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Gln 2	Pro 2	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	50602.0
Non-Polymers*	Number of molecules	3
	Total formula weight	186.1
All*	Total formula weight	50788.2

*Water molecules are not included.