9TM3

Monoclinic crystal structure of protein kinase CK2 catalytic subunit CK2alpha' (CSNK2A2 gene product) in complex with the indenoindole-precursor compound JC0151

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, B (A, B)	Casein kinase II subunit alpha'	polymer	364	42879.9	2	UniProt (P19784) Pfam (PF00069)	Escherichia coli	CK II alpha'
2	C, E (A, B)	NICOTINIC ACID	non-polymer		123.1	2	Chemie (NIO) PubChem (938)
3	D (A)	(4bS,9bS)-4b,9b-bis(oxidanyl)-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione	non-polymer		313.3	1	Chemie (A1JSZ)
4	F, G (A, B)	water	water		18.0	567	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
Ser 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85759.7
Non-Polymers*	Number of molecules	3
	Total formula weight	559.6
All*	Total formula weight	86319.3

*Water molecules are not included.