3FIE

Crystal structure of Clostridium botulinum neurotoxin serotype F catalytic domain with an inhibitor (inh1)

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 F	polymer	427	48745.6	2	UniProt (Q57236) Pfam (PF01742) UniProt (by SIFTS) (A7GBG3)	Clostridium botulinum	BoNT/F (Neurotoxin type F)
2	C, D (C, D)	fragment of Vesicle-associated membrane protein 2	polymer	38	4280.8	2	UniProt (P63027) Pfam (PF00957)		VAMP-2, Synaptobrevin-2
3	E, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H, I, J (A, B, C, D)	water	water		18.0	349	Chemie (HOH)

Sequence modifications

A, B: 1 - 419 (UniProt: Q57236)

PDB	External Database	Details
Leu 420	-	expression tag
Glu 421	-	expression tag
His 422	-	expression tag
His 423	-	expression tag
His 424	-	expression tag
His 425	-	expression tag
His 426	-	expression tag
His 427	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	106052.9
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	106183.7

*Water molecules are not included.