7AT9

Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine

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 II subunit alpha'	polymer	364	42879.9	1	UniProt (P19784) Pfam (PF00069) In PDB	Homo sapiens (Human)	CK II alpha'
2	A	2-(3,4-dichlorophenyl)ethanamine	non-polymer		190.1	2	Chemie (42J)
3	A	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
5	A	3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol	non-polymer		492.8	1	Chemie (4B0)
6	A	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7		water	water		18.0	390	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	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42879.9
Non-Polymers*	Number of molecules	14
	Total formula weight	1424.3
All*	Total formula weight	44304.2

*Water molecules are not included.