8V6S

Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Thoeris protein ThsA Macro domain-containing protein	polymer	240	27588.5	2	UniProt (A0A7Y5Z1U6) Pfam (PF20016)	Pseudomonas corrugata
2	C, D (A, B)	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate	non-polymer		609.4	2	Chemie (YG8)
3	E, F (A, B)	water	water		18.0	318	Chemie (HOH)

Sequence modifications

A, B: 62 - 278 (UniProt: A0A7Y5Z1U6)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	55177.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1218.8
All*	Total formula weight	56395.7

*Water molecules are not included.