8HKH

Crystal structure of the LC/A1-DARPin18 complex

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)	BoNT/A	polymer	436	49952.4	2	UniProt (Q7B8V4) Pfam (PF01742) UniProt (by SIFTS) (P0DPI1)	Clostridium botulinum
2	C, D (C, D)	Designed ankyrin repeat protein 18	polymer	149	16341.3	2		synthetic construct	DARPin18
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	26	Chemie (HOH)

Sequence modifications

A, B: 2 - 421 (UniProt: Q7B8V4)

PDB	External Database	Details
Met -14	-	initiating methionine
Lys -13	-	expression tag
Lys -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Gly -5	-	expression tag
Leu -4	-	expression tag
Val -3	-	expression tag
Pro -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	132587.5
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	132718.3

*Water molecules are not included.