5MQV

Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Casein kinase I isoform delta	polymer	314	36377.9	6	UniProt (P48730) Pfam (PF00069)	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
2	BA, EA, G, K, P... (E, F, A, B, C...)	4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide	non-polymer		543.6	6	Chemie (D5Q)
3	AA, CA, DA, FA, GA... (D, E, F, A, B...)	PHOSPHATE ION	non-polymer		95.0	21	Chemie (PO4)
4	HA, IA, JA, KA, LA... (A, B, C, D, E...)	water	water		18.0	697	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 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	6
	Total formula weight	218267.3
Non-Polymers*	Number of molecules	27
	Total formula weight	5256.1
All*	Total formula weight	223523.4

*Water molecules are not included.