4ZJX

Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with a Novel Cyclic Peptide Inhibitor

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	432	49686.1	1	UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1) In PDB	Clostridium botulinum	BoNT/A,Bontoxilysin-A,BOTOX
2	B	circular peptide inhibitor	polymer	9	1009.3	1	BIRD (PRD_002231)	synthetic construct
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	183	Chemie (HOH)

Sequence modifications

A: 1 - 424 (UniProt: P10845)

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	50695.3
Non-Polymers*	Number of molecules	4
	Total formula weight	353.6
All*	Total formula weight	51048.9

*Water molecules are not included.