5OT5

The crystal structure of CK2alpha in complex with compound 24

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	352	41467.8	2	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	C, D, E, F, J... (A, B)	ACETATE ION	non-polymer		59.0	6	Chemie (ACT)
3	G, L (A, B)	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine	non-polymer		403.9	2	Chemie (AWK)
4	H, M (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
5	I (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	N, O (A, B)	water	water		18.0	309	Chemie (HOH)

Sequence modifications

A, B: 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	11
	Total formula weight	1458.2
All*	Total formula weight	84393.8

*Water molecules are not included.