5OKT

Crystal structure of human Casein Kinase I delta in complex with IWP-2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Casein kinase I isoform delta	polymer	314	36457.9	2	UniProt (P48730) Pfam (PF00069)	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
2	C, D (C, D)	Casein kinase I isoform delta	polymer	314	36377.9	2	UniProt (P48730) Pfam (PF00069)	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
3	AA, E, M, R (D, A, B, C)	~{N}-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanamide	non-polymer		466.6	4	Chemie (9XK)
4	BA, CA, DA, EA, F... (D, A, B, C)	SULFATE ION	non-polymer		96.1	19	Chemie (SO4)
5	K, L (A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
6	GA, Q, Y, Z (D, B, C)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
7	HA, IA, JA, KA (A, B, C, D)	water	water		18.0	363	Chemie (HOH)

Sequence modifications

A, B: 1 - 294 (UniProt: P48730)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

C, D: 1 - 294 (UniProt: P48730)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -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
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	145671.5
Non-Polymers*	Number of molecules	29
	Total formula weight	4178.1
All*	Total formula weight	149849.6

*Water molecules are not included.