5OTZ

The crystal structure of CK2alpha in complex with 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 (A)	Casein kinase II subunit alpha	polymer	342	40786.4	1	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	B, C (A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
3	D (A)	trifluoroacetic acid	non-polymer		114.0	1	Chemie (TFA)
4	E, F (A)	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine	non-polymer		280.2	2	Chemie (AUT)
5	G (A)	water	water		18.0	264	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	5
	Total formula weight	792.5
All*	Total formula weight	41578.9

*Water molecules are not included.