9P74

Crystal Structure of cGMP-dependent protein kinase from Plasmodium vivax in complex with inhibitor RUBP-61

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)	cGMP-dependent protein kinase	polymer	863	98845.0	1	UniProt (A5K0N4)	Plasmodium vivax Sal-1
2	B, S, T (A)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL) PubChem (753)
3	C (A)	BROMIDE ION	non-polymer		79.9	1	Chemie (BR) PubChem (259)
4	D (A)	4-{5-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2-(4-fluorophenyl)-1H-pyrrol-3-yl}pyridine	non-polymer		349.4	1	Chemie (A1CHG)
5	E, F, G, H, I... (A)	CHLORIDE ION	non-polymer		35.5	14	Chemie (CL) PubChem (312)
6	U (A)	water	water		18.0	15	Chemie (HOH)

Sequence modifications

A: 1 - 846 (UniProt: A5K0N4)

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

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	98845.0
Non-Polymers*	Number of molecules	19
	Total formula weight	1202.0
All*	Total formula weight	100046.9

*Water molecules are not included.