6HMR

Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 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	36377.9	2	UniProt (P48730) Pfam (PF00069)	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
2	C, E (A, B)	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide	non-polymer		567.6	2	Chemie (GE5)
3	D, F (A, B)	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA)
4	G, H (A, B)	water	water		18.0	462	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72755.8
Non-Polymers*	Number of molecules	4
	Total formula weight	1343.4
All*	Total formula weight	74099.2

*Water molecules are not included.