5M56

Monoclinic complex structure of human protein kinase CK2 catalytic subunit (isoform CK2alpha') with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21)

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	364	42821.8	2	UniProt (P19784) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha'
2	C, F (A, B)	4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid	non-polymer		351.1	2	Chemie (7FC)
3	D, G, H, I (A, B)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
4	E, J (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	K, L (A, B)	water	water		18.0	378	Chemie (HOH)

Sequence modifications

A, B: 1 - 350 (UniProt: P19784)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Gly 39	Asp 39	engineered mutation
Ser 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85643.7
Non-Polymers*	Number of molecules	8
	Total formula weight	1141.6
All*	Total formula weight	86785.2

*Water molecules are not included.