6Z83

CK2 alpha bound to chemical probe SGC-CK2-1

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 (AAA, BBB)	Casein kinase II subunit alpha	polymer	359	42799.6	2	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	C, D, E, F, G... (AAA, BBB)	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
3	H, R (AAA, BBB)	~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide	non-polymer		375.4	2	Chemie (QBE)
4	I, J, S, T, U... (AAA, BBB)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	7	Chemie (PEG)
5	X, Y (AAA, BBB)	water	water		18.0	275	Chemie (HOH)

Sequence modifications

AAA, BBB: 1 - 337 (UniProt: P68400)

PDB	External Database	Details
Met -21	-	initiating methionine
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Ser -14	-	expression tag
Ser -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Asp -10	-	expression tag
Leu -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85599.3
Non-Polymers*	Number of molecules	21
	Total formula weight	2646.5
All*	Total formula weight	88245.7

*Water molecules are not included.