4KBA

CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor

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	Casein kinase I isoform delta	polymer	331	38537.2	4	UniProt (P48730) Pfam (PF00069) In PDB	Homo sapiens (human)	CKI-delta, CKId, Tau-protein kinase CSNK1D
2	A, B, C, D	9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine	non-polymer		324.4	4	Chemie (1QM)
3	A, B, C, D	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
4		water	water		18.0	176	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 317 (UniProt: P48730)

PDB	External Database	Details
Met -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Ser -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Leu -3	-	expression tag
Val -2	-	expression tag
Pro -1	-	expression tag
Arg 0	-	expression tag
Gly 1	-	expression tag
Ser 2	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	154148.9
Non-Polymers*	Number of molecules	13
	Total formula weight	2162.0
All*	Total formula weight	156310.9

*Water molecules are not included.