8QBU

STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA'; CSNK2A2 GENE PRODUCT) IN COMPLEX WITH THE INHIBITOR CX-4945 AND THE ALPHA-D-POCKET LIGAND 3,4-DICHLORO PHENETHYLAMINE (DPA)

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	364	42879.9	1	UniProt (P19784) Pfam (PF00069)	Homo sapiens (human)	CK II alpha'
2	B, C, D, G, H... (A)	1,2-ETHANEDIOL	non-polymer		62.1	12	Chemie (EDO)
3	E (A)	2-(3,4-dichlorophenyl)ethanamine	non-polymer		190.1	1	Chemie (42J)
4	F (A)	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid	non-polymer		349.8	1	Chemie (3NG)
5	P (A)	water	water		18.0	282	Chemie (HOH)

Sequence modifications

A: 1 - 350 (UniProt: P19784)

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
Ser 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42879.9
Non-Polymers*	Number of molecules	14
	Total formula weight	1284.7
All*	Total formula weight	44164.5

*Water molecules are not included.