8U2O

Crystal Structure of Cdk-related protein kinase 6 (PK6) from Plasmodium falciparum in complex with inhibitor TCMDC-123995

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Protein kinase 6	polymer	307	35994.6	2	UniProt (Q8IDW1) Pfam (PF00069) In PDB	Plasmodium falciparum 3D7
2	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	A, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
4	A, B	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
5	A, B	N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide	non-polymer		364.9	2	Chemie (V3O)
6		water	water		18.0	132	Chemie (HOH)

Sequence modifications

A, B: 1 - 305 (UniProt: Q8IDW1)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Asn 44	Cys 44	engineered mutation
Arg 53	Cys 53	engineered mutation
Ala 86	Lys 86	engineered mutation
Asn 222	Cys 222	engineered mutation
Ala 237	Lys 237	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	71989.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1247.9
All*	Total formula weight	73237.0

*Water molecules are not included.