9FBL

Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 15 discovered by high-throughput screening

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, C (A, B, C)	Casein kinase II subunit alpha	polymer	349	41685.4	3	UniProt (P68400) Pfam (PF00069)	Homo sapiens (human)
2	D, E, F (L, N, P)	Cyclic peptidomimetic compound FMP35	polymer	5	733.9	3		synthetic construct
3	G, N, R (A, B, C)	NICOTINIC ACID	non-polymer		123.1	3	Chemie (NIO)
4	H, I, J, K, L... (A, B, C)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
5	W (C)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
6	AA, X, Y, Z (N, A, B, C)	water	water		18.0	194	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 335 (UniProt: P68400)

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

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	127257.9
Non-Polymers*	Number of molecules	17
	Total formula weight	1641.1
All*	Total formula weight	128899.0

*Water molecules are not included.