3MA6

Crystal structure of kinase domain of TgCDPK1 in presence of 3BrB-PP1

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)	Calmodulin-domain protein kinase 1	polymer	298	34574.8	2	UniProt (Q9BJF5) Pfam (PF00069)	Toxoplasma gondii
2	C, D (A, B)	3-(3-bromobenzyl)-1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		360.3	2	Chemie (DXR)
3	E, F (A, B)	water	water		18.0	76	Chemie (HOH)

Sequence modifications

A, B: 19 - 298 (UniProt: Q9BJF5)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69149.7
Non-Polymers*	Number of molecules	2
	Total formula weight	720.5
All*	Total formula weight	69870.2

*Water molecules are not included.