5CU0

Crystal structure of CK2alpha with 2-hydroxy-5-methylbenzoic acid and N-(3-(3-chloro-4-(phenyl)benzylamino)propyl)acetamide bound

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, G, H (A, B)	N-(3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propyl)acetamide	non-polymer		316.8	4	Chemie (54R)
3	E, I (A, B)	2-hydroxy-5-methylbenzoic acid	non-polymer		152.1	2	Chemie (54G)
4	F (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
5	J, K (A, B)	water	water		18.0	180	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	7
	Total formula weight	1630.6
All*	Total formula weight	84566.2

*Water molecules are not included.