7AYA

Crystal structure of CK2 bound by compound 9

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Casein kinase II subunit alpha	polymer	342	40982.7	2	UniProt (P68400) Pfam (PF00069) In PDB	Homo sapiens (Human)	CK II alpha
2	A, B	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
3	B, A	1,2-ETHANEDIOL	non-polymer		62.1	26	Chemie (EDO)
4	B, A	~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide	non-polymer		416.5	2	Chemie (S8W)
5		water	water		18.0	227	Chemie (HOH)

Sequence modifications

A, B: 1 - 336 (UniProt: P68400)

PDB	External Database	Details
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81965.4
Non-Polymers*	Number of molecules	38
	Total formula weight	3407.4
All*	Total formula weight	85372.7

*Water molecules are not included.