8V6R

Crystal structure of EcThsA in complex with 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	Thoeris protein ThsA Macro domain-containing protein	polymer	241	27807.5	2	UniProt (A0A178STJ6) Pfam (PF20016) In PDB	Escherichia coli
2	A, B	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	non-polymer		559.3	2	Chemie (AR6)
3		water	water		18.0	41	Chemie (HOH)

Sequence modifications

A, B: 62 - 278 (UniProt: A0A178STJ6)

PDB	External Database	Details
Met 38	-	initiating methionine
His 39	-	expression tag
His 40	-	expression tag
His 41	-	expression tag
His 42	-	expression tag
His 43	-	expression tag
His 44	-	expression tag
Ser 45	-	expression tag
Ser 46	-	expression tag
Gly 47	-	expression tag
Val 48	-	expression tag
Asp 49	-	expression tag
Leu 50	-	expression tag
Gly 51	-	expression tag
Thr 52	-	expression tag
Glu 53	-	expression tag
Asn 54	-	expression tag
Leu 55	-	expression tag
Tyr 56	-	expression tag
Phe 57	-	expression tag
Gln 58	-	expression tag
Ser 59	-	expression tag
Asn 60	-	expression tag
Ala 61	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55615.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1118.6
All*	Total formula weight	56733.6

*Water molecules are not included.