3MWU

Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95

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	486	56152.8	1	UniProt (A3FQ16) Pfam (PF00069) Pfam (PF13499)	Cryptosporidium parvum
2	B, C, D, E (A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	F (A)	3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	non-polymer		372.5	1	Chemie (BK3)
4	G (A)	water	water		18.0	125	Chemie (HOH)

Sequence modifications

A: 70 - 538 (UniProt: A3FQ16)

PDB	External Database	Details
Met -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
Arg -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	56152.8
Non-Polymers*	Number of molecules	5
	Total formula weight	532.8
All*	Total formula weight	56685.6

*Water molecules are not included.