8BTP

Helical structure of BcThsA in complex with 1''-3'gc(etheno)ADPR

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E...	NAD(+) hydrolase ThsA	polymer	479	55417.7	12	UniProt (J8G6Z1) Pfam (PF13289) Pfam (PF18185) In PDB	Bacillus cereus MSX-D12	NADase ThsA,Thoeris protein ThsA
2	H, I, J, K, L...	(1S,3S,4R,5R,7R,15R,16S,17R)-5-imidazo[2,1-f]purin-3-yl-10,12-bis(oxidanyl)-10,12-bis(oxidanylidene)-2,6,9,11,13,18-hexaoxa-10$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{3,7}]octadecane-4,16,17-triol	non-polymer		565.3	12	Chemie (RK3)
3	H, I, J, K, L...	ETHENO-NAD	non-polymer		687.4	12	Chemie (ENA)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 1 - 476 (UniProt: J8G6Z1)

PDB	External Database	Details
Ser -2	-	expression tag
Gly -1	-	expression tag
Gly 0	-	expression tag
Ala 112	Asn 112	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	665013.0
Non-Polymers*	Number of molecules	24
	Total formula weight	15033.2
All*	Total formula weight	680046.2

*Water molecules are not included.