8C5Q

CK2 kinase bound to inhibitor AB668

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	359	42799.6	2	UniProt (P68400) Pfam (PF00069) In PDB	Homo sapiens (human)	CK II alpha
2	A, B	SULFATE ION	non-polymer		96.1	12	Chemie (SO4)
3	A, B	2-methylpropyl 5-fluoranyl-3-[1-[[1-[2-[[4-(2-methylpropyl)phenyl]sulfonylamino]ethyl]piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]-1~{H}-indole-2-carboxylate	non-polymer		638.8	2	Chemie (TL0)
4	A, B	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
5	B	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6		water	water		18.0	54	Chemie (HOH)

Sequence modifications

A, B: 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	19
	Total formula weight	2834.2
All*	Total formula weight	88433.4

*Water molecules are not included.