3C8A

Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGL

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 A light chain	polymer	432	49658.0	1	UniProt (A5HZZ9) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) In PDB	Clostridium botulinum	BONTOXILYSIN-A
2	B	Inhibitor peptide RRGL	polymer	5	500.6	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	389	Chemie (HOH)

Sequence modifications

A: 1 - 424 (UniProt: A5HZZ9)

PDB	External Database	Details
Leu 425	-	EXPRESSION TAG
Glu 426	-	EXPRESSION TAG
His 427	-	EXPRESSION TAG
His 428	-	EXPRESSION TAG
His 429	-	EXPRESSION TAG
His 430	-	EXPRESSION TAG
His 431	-	EXPRESSION TAG
His 432	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50158.6
Non-Polymers*	Number of molecules	4
	Total formula weight	353.6
All*	Total formula weight	50512.2

*Water molecules are not included.