9HYH

Protein kinase CK2 catalytic subunit alpha (CSNK2A1 gene product) in complex with F2X-Entry screen fragment D02 and CX-4945 (Silmitasertib)

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 II subunit alpha	polymer	355	42238.1	2	UniProt (P68400)	Homo sapiens (human)	CK II alpha
2	C, F (A, B)	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide	non-polymer		250.3	2	Chemie (SY4)
3	D, E (A, B)	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid	non-polymer		349.8	2	Chemie (3NG)
4	G, H (A, B)	water	water		18.0	406	Chemie (HOH)

Sequence modifications

A, B: 1 - 335 (UniProt: P68400)

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	84476.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1200.1
All*	Total formula weight	85676.3

*Water molecules are not included.