9VYL

Crystal structure of BdThsB1 with NAD

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 (A, B, C, D)	Putative cyclic ADP-D-ribose synthase TIR1	polymer	243	28443.5	4	UniProt (A0A5B8Z670) Pfam (PF08937)	Cytobacillus dafuensis	NAD cyclase,Putative cADPR synthase TIR1,Thoeris protein TIR1
2	E, IA, O, Y (A, D, B, C)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	AA, F, G, JA, KA... (C, A, D, B)	SPERMIDINE	non-polymer		145.2	8	Chemie (SPD)
4	BA, H, LA, R (C, A, D, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
5	CA, DA, EA, FA, GA... (C, A, D, B)	SODIUM ION	non-polymer		23.0	24	Chemie (NA)
6	SA, TA, UA, VA (A, B, C, D)	water	water		18.0	1010	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 224 (UniProt: A0A5B8Z670)

PDB	External Database	Details
Met -18	-	initiating methionine
Lys -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	113774.2
Non-Polymers*	Number of molecules	40
	Total formula weight	4629.1
All*	Total formula weight	118403.2

*Water molecules are not included.