9FBM

Structure of human protein kinase CK2 catalytic subunit (CK2alpha, CSNK2A1 gene product) in complex with the cyclic peptidomimetic compound 12 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 (F, G, H)	Cyclic peptidomimetic compound FMP37	polymer	5	731.3	3		synthetic construct
3	G, M, R (A, B, C)	NICOTINIC ACID	non-polymer		123.1	3	Chemie (NIO)
4	H, I, J, K, N... (A, B, C)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
5	L, Q (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	V, W, X, Y, Z (A, B, C, F, G)	water	water		18.0	765	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	127250.2
Non-Polymers*	Number of molecules	15
	Total formula weight	1375.9
All*	Total formula weight	128626.1

*Water molecules are not included.