4HEV

Clostridium Botulinum Serotype A Light Chain Inhibited By Adamantane Hydroxamate

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 A light chain	polymer	441	50602.0	2	UniProt (P10845) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1)	Clostridium botulinum	BoNT/A, Bontoxilysin-A, BOTOX
2	C, E (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, F (A, B)	N-hydroxy-2-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]acetamide	non-polymer		209.3	2	Chemie (AXM)
4	G, H (A, B)	water	water		18.0	153	Chemie (HOH)

Sequence modifications

A, B: 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	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	101204.1
Non-Polymers*	Number of molecules	4
	Total formula weight	549.4
All*	Total formula weight	101753.5

*Water molecules are not included.