5OQU

The crystal structure of CK2alpha in complex with compound 5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Casein kinase II subunit alpha	polymer	352	41467.8	2	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	C, F (B, A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	D, E, J, K, L (B, A)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
4	G (A)	[3-chloranyl-4-(2-methoxyphenyl)phenyl]methanamine	non-polymer		247.7	1	Chemie (A4B)
5	H, I (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	M (A)	INOSITOL HEXAKISPHOSPHATE	non-polymer		660.0	1	Chemie (IHP)
7	N (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
8	O, P (B, A)	water	water		18.0	15	Chemie (HOH)

Sequence modifications

B, A: 2 - 329 (UniProt: P68400)

PDB	External Database	Details
Gly -22	-	expression tag
Ser -21	-	expression tag
Met -20	-	expression tag
Asp -19	-	expression tag
Ile -18	-	expression tag
Glu -17	-	expression tag
Phe -16	-	expression tag
Asp -15	-	expression tag
Asp -14	-	expression tag
Asp -13	-	expression tag
Ala -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Ser 21	Arg 21	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82935.6
Non-Polymers*	Number of molecules	12
	Total formula weight	2141.4
All*	Total formula weight	85077.0

*Water molecules are not included.