2A9Y

Crystal structure of T. gondii adenosine kinase complexed with N6-dimethyladenosine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	adenosine kinase	polymer	383	40584.1	1	UniProt (Q9TVW2) Pfam (PF00294) In PDB	Toxoplasma gondii	AK; Adenosine 5'-phosphotransferase
2	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
3	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	A	6N-DIMETHYLADENOSINE	non-polymer		295.3	2	Chemie (26A)
6		water	water		18.0	404	Chemie (HOH)

Sequence modifications

A: 1 - 363 (UniProt: Q9TVW2)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ser 270	Gly 270	engineered mutation
Phe 360	Ser 360	engineered mutation
Thr 361	Leu 361	engineered mutation
Ser 362	Pro 362	engineered mutation
Gly 363	Cys 363	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40584.1
Non-Polymers*	Number of molecules	6
	Total formula weight	731.1
All*	Total formula weight	41315.2

*Water molecules are not included.