5OSU

The crystal structure of CK2alpha in complex with analogues of compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Casein kinase II subunit alpha	polymer	342	40786.4	1	UniProt (P68400) Pfam (PF00069) In PDB	Homo sapiens (Human)	CK II alpha
2	A	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
3	A	[3-chloranyl-4-[2-methoxy-5-(trifluoromethyl)phenyl]phenyl]methanamine	non-polymer		315.7	1	Chemie (AFW)
4		water	water		18.0	265	Chemie (HOH)

Sequence modifications

A: 2 - 329 (UniProt: P68400)

PDB	External Database	Details
Ser 21	Arg 21	engineered mutation
Ala 74	Lys 74	engineered mutation
Ala 75	Lys 75	engineered mutation
Ala 76	Lys 76	engineered mutation
Arg 330	-	expression tag
Glu 331	-	expression tag
Ala 332	-	expression tag
Met 333	-	expression tag
Glu 334	-	expression tag
His 335	-	expression tag
Pro 336	-	expression tag
Tyr 337	-	expression tag
Phe 338	-	expression tag
Tyr 339	-	expression tag
Thr 340	-	expression tag
Val 341	-	expression tag
Val 342	-	expression tag
Lys 343	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40786.4
Non-Polymers*	Number of molecules	2
	Total formula weight	374.8
All*	Total formula weight	41161.2

*Water molecules are not included.