5MOE

Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide 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, O (A, B)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	2	Chemie (ADP)
3	D, E, P, Q (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	F, R (A, B)	INOSITOL HEXAKISPHOSPHATE	non-polymer		660.0	2	Chemie (IHP)
5	G, H, I, J, S... (A, B)	ACETATE ION	non-polymer		59.0	7	Chemie (ACT)
6	K, L, M, V, W (A, B)	[3-chloranyl-4-(furan-3-yl)phenyl]methanamine	non-polymer		207.7	5	Chemie (OQC)
7	N (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
8	X, Y (A, B)	water	water		18.0	216	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	21
	Total formula weight	3818.3
All*	Total formula weight	86753.8

*Water molecules are not included.