5T6K

Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Calmodulin-domain protein kinase 1	polymer	525	59533.4	1	UniProt (Q9BJF5) Pfam (PF00069) Pfam (PF13499)	Toxoplasma gondii
2	B (A)	4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine	non-polymer		338.8	1	Chemie (5G9)
3	C, D, E, F, G... (A)	UNKNOWN ATOM OR ION	non-polymer			7	Chemie (UNX)
4	J (A)	water	water		18.0	41	Chemie (HOH)

Sequence modifications

A: 1 - 507 (UniProt: Q9BJF5)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	59533.4
Non-Polymers*	Number of molecules	8
	Total formula weight	338.8
All*	Total formula weight	59872.2

*Water molecules are not included.