6F1W

Crystal structure of human Casein Kinase I delta in complex with compound 31a

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Casein kinase I isoform delta	polymer	314	36457.9	1	UniProt (P48730) Pfam (PF00069) In PDB	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
2	B	Casein kinase I isoform delta	polymer	314	36377.9	1	UniProt (P48730) Pfam (PF00069) In PDB	Homo sapiens (Human)	CKId,Tau-protein kinase CSNK1D
3	A, B	SULFATE ION	non-polymer		96.1	15	Chemie (SO4)
4	A, B	(9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide	non-polymer		623.7	2	Chemie (CG5)
5		water	water		18.0	415	Chemie (HOH)

Sequence modifications

A: 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

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	72835.8
Non-Polymers*	Number of molecules	17
	Total formula weight	2688.3
All*	Total formula weight	75524.0

*Water molecules are not included.