5M4U

ORTHORHOMBIC COMPLEX STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') WITH THE INHIBITOR 4'-CARBOXY-6,8-CHLORO- FLAVONOL (FLC21)

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	364	42821.8	1	UniProt (P19784) Pfam (PF00069) In PDB	Homo sapiens (Human)	CK II alpha'
2	A	4-[6,8-bis(chloranyl)-3-oxidanyl-4-oxidanylidene-chromen-2-yl]benzoic acid	non-polymer		351.1	1	Chemie (7FC)
3	A	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
4	A	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
5	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
7		water	water		18.0	315	Chemie (HOH)

Sequence modifications

A: 1 - 350 (UniProt: P19784)

PDB	External Database	Details
Met -13	-	initiating methionine
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag
Gly 39	Asp 39	engineered mutation
Ser 336	Cys 336	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42821.8
Non-Polymers*	Number of molecules	11
	Total formula weight	1120.3
All*	Total formula weight	43942.1

*Water molecules are not included.