8KBF

Structure of CbTad1 complexed with 1',3'-cADPR and cA3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Thoeris anti-defense 1	polymer	138	15862.7	2	UniProt (P0DW58) In PDB	Clostridium botulinum
2	C, D	(2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE	polymer	3	942.7	2		synthetic construct
3	A, B	(2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione	non-polymer		541.3	2	Chemie (OJC)
4		water	water		18.0	53	Chemie (HOH)

Sequence modifications

A, B: 1 - 124 (UniProt: P0DW58)

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

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	33610.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1082.6
All*	Total formula weight	34693.3

*Water molecules are not included.