9S7A

Structure of protein kinase CK2alpha mutant R80C associated with the Okur-Chung Neurodevelopmental Syndrome

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	411	47325.9	2	UniProt (P68400)	Homo sapiens (human)	CK II alpha
2	C, J (A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	2	Chemie (ANP)
3	D, E, F, G, H... (A, B)	SULFATE ION	non-polymer		96.1	10	Chemie (SO4)
4	I, P, Q (A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG) PubChem (888)
5	R, S (A, B)	water	water		18.0	232	Chemie (HOH)

Sequence modifications

A, B: 1 - 391 (UniProt: P68400)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Cys 80	Arg 80	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	94651.7
Non-Polymers*	Number of molecules	15
	Total formula weight	2045.9
All*	Total formula weight	96697.7

*Water molecules are not included.