9R5C

Crystal structure of human protein kinase CK2 catalytic subunit (isoenzyme ck2alpha'; CSNK2A2 gene product) in complex with 4,7-dibromo-5,6-difluoro-1H-1,2,3-benzotriazole

This is a non-PDB format compatible entry.

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)	Homo sapiens (human)	CK II alpha'
2	B (A)	4,7-bis(bromanyl)-5,6-bis(fluoranyl)-1~{H}-benzotriazole	non-polymer		312.9	1	Chemie (A1JCZ)
3	C (A)	3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol	non-polymer		492.8	1	Chemie (4B0)
4	D (A)	water	water		18.0	398	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	2
	Total formula weight	805.7
All*	Total formula weight	43685.6

*Water molecules are not included.