9NTZ

Crystal structure of calcium-dependent protein kinase 1 (CDPK1) from Cryptosporidium parvum in complex with inhibitor BKI-1932.

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)	Cryptosporidium parvum Iowa II
2	B (A)	(6R,8M)-8-(2-ethoxyquinolin-6-yl)-5,5-dimethyl-2-oxo-1,2,4,5-tetrahydropyrazolo[5,1-d][1,3,5]oxadiazepine-9-carboxamide	non-polymer		395.4	1	Chemie (A1B1S)
3	C (A)	L(+)-TARTARIC ACID	non-polymer		150.1	1	Chemie (TLA) PubChem (875) PubChem (5851) PubChem (78956) PubChem (439655) PubChem (444305) PubChem (447315)
4	D, E, F, G (A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA) PubChem (271)
5	H (A)	water	water		18.0	160	Chemie (HOH)

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	6
	Total formula weight	705.8
All*	Total formula weight	57416.2

*Water molecules are not included.