5N1V

Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand

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	40982.7	2	UniProt (P68400) Pfam (PF00069)	Homo sapiens (Human)	CK II alpha
2	C, D, E, F, G... (A, B)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
3	H, I, J, K, L... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
4	AA, O (B, A)	pyrazolo-pyrimidine macrocycle	non-polymer		487.5	2	Chemie (8GQ)
5	BA, CA (A, B)	water	water		18.0	141	Chemie (HOH)

Sequence modifications

A, B: 1 - 336 (UniProt: P68400)

PDB	External Database	Details
His 337	-	expression tag
His 338	-	expression tag
His 339	-	expression tag
His 340	-	expression tag
His 341	-	expression tag
His 342	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81965.4
Non-Polymers*	Number of molecules	25
	Total formula weight	2640.6
All*	Total formula weight	84605.9

*Water molecules are not included.