4NC1

Crystal Structure of TcdA-A2 Bound to A20.1 VHH and A26.8 VHH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, B)	Cell wall-binding repeat protein	polymer	261	29547.8	2	UniProt (D5RWT1)	Clostridium difficile
2	B, E (C, D)	A20.1 VHH	polymer	154	16828.4	2		Lama glama
3	C, F (E, F)	A26.8 VHH	polymer	130	14593.1	2		Lama glama
4	G, H, I, J, K... (A, C, E, B, D...)	water	water		18.0	54	Chemie (HOH)

Sequence modifications

A, B: 14 - 261 (UniProt: D5RWT1)

PDB	External Database	Details
Met 1	-	expression tag
His 2	-	expression tag
His 3	-	expression tag
His 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
Ser 8	-	expression tag
Lys 9	-	expression tag
Ala 10	-	expression tag
Val 11	-	expression tag
Thr 12	-	expression tag
Gly 13	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	121938.6
All*	Total formula weight	121938.6

*Water molecules are not included.