9GCW

Crystal structure of protein kinase CK2 catalytic subunit (csnk2a1 gene product) in complex with the dual CK2/HDAC inhibitor IOR-160

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Casein kinase II subunit alpha	polymer	349	41685.4	1	UniProt (P68400) Pfam (PF00069)	Homo sapiens (human)
2	B (A)	5-[[8-(oxidanylamino)-8-oxidanylidene-octyl]amino]benzo[c][2,6]naphthyridine-8-carboxylic acid	non-polymer		396.4	1	Chemie (A1IKB)
3	C, D (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	E (A)	water	water		18.0	171	Chemie (HOH)

Sequence modifications

A: 1 - 335 (UniProt: P68400)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	41685.4
Non-Polymers*	Number of molecules	3
	Total formula weight	467.3
All*	Total formula weight	42152.8

*Water molecules are not included.