7A1B

Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Casein kinase II subunit alpha'	polymer	364	42879.9	1	UniProt (P19784) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha'
2	B (A)	5,6-dibromo-1H-triazolo[4,5-b]pyridine	non-polymer		277.9	1	Chemie (QXW)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	I, J (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	K (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	L (A)	water	water		18.0	291	Chemie (HOH)

Sequence modifications

A: 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
Ser 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42879.9
Non-Polymers*	Number of molecules	10
	Total formula weight	744.2
All*	Total formula weight	43624.1

*Water molecules are not included.