3QW5

Crystal structure of the protease domain of Botulinum Neurotoxin Serotype A with a peptide inhibitor RRGF

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	430	49415.7	1	UniProt (A5HZZ9) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) In PDB	Clostridium botulinum	BoNT/A, Bontoxilysin-A, BOTOX
2	B	inhibitory peptide RRGF	polymer	5	534.6	1
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5		water	water		18.0	271	Chemie (HOH)

Sequence modifications

A: 1 - 424 (UniProt: A5HZZ9)

PDB	External Database	Details
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	49950.4
Non-Polymers*	Number of molecules	4
	Total formula weight	353.6
All*	Total formula weight	50304.0

*Water molecules are not included.