6EHU

The crystal structure of CK2alpha in complex with compound 32

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Casein kinase II subunit alpha	polymer	342	40786.4	2	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	C, D, E, G, H... (A, B)	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine	non-polymer		423.5	6	Chemie (B5E)
3	F, J (A, B)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
4	K, L (A, B)	water	water		18.0	262	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	81572.8
Non-Polymers*	Number of molecules	8
	Total formula weight	2658.9
All*	Total formula weight	84231.7

*Water molecules are not included.