5OTH

The crystal structure of CK2alpha in complex with compound 26

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, I (A, B)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
3	F, J (A, B)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)
4	G (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
5	H, K (A, B)	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine	non-polymer		419.9	2	Chemie (AQ8)
6	L, M (A, B)	water	water		18.0	240	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	9
	Total formula weight	1344.1
All*	Total formula weight	84279.7

*Water molecules are not included.