9MI5

Crystal structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum in complex with inhibitor BKI-1606

This is a non-PDB format compatible entry.

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	492	56710.4	1	UniProt (A3FQ16) Pfam (PF00069) Pfam (PF13499)	Cryptosporidium parvum Iowa II
2	B (A)	(3P)-5-amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)-1H-pyrazole-4-carboxamide	non-polymer		381.4	1	Chemie (A1BLC) PubChem (86342042)
3	C, D (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA) PubChem (271)

Sequence modifications

A: 70 - 538 (UniProt: A3FQ16)

PDB	External Database	Details
Met 47	-	initiating methionine
Gly 48	-	expression tag
Ser 49	-	expression tag
Ser 50	-	expression tag
His 51	-	expression tag
His 52	-	expression tag
His 53	-	expression tag
His 54	-	expression tag
His 55	-	expression tag
His 56	-	expression tag
Ser 57	-	expression tag
Ser 58	-	expression tag
Gly 59	-	expression tag
Arg 60	-	expression tag
Glu 61	-	expression tag
Asn 62	-	expression tag
Leu 63	-	expression tag
Tyr 64	-	expression tag
Phe 65	-	expression tag
Gln 66	-	expression tag
Gly 67	-	expression tag
His 68	-	expression tag
Met 69	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56710.4
Non-Polymers*	Number of molecules	3
	Total formula weight	461.6
All*	Total formula weight	57172.0

*Water molecules are not included.