9ZKG

VRK1 in complex with the inhibitor MP-60

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Serine/threonine-protein kinase VRK1	polymer	364	41138.1	4	UniProt (Q99986) Pfam (PF00069)	Homo sapiens (human)	Vaccinia-related kinase 1
2	DA, E, O, R (D, A, C)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL) PubChem (753)
3	AA, F, G, L, N... (D, A, B, C)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
4	H, HA, IA, JA, KA... (A, D, C)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL) PubChem (312)
5	BA, I (D, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG) PubChem (8117)
6	J (B)	ACETONE	non-polymer		58.1	1	Chemie (ACN) PubChem (180)
7	K, M (B)	2-(2-azanylethanoylamino)ethanoic acid	non-polymer		132.1	2	Chemie (GG0) PubChem (11163)
8	CA, S (D, C)	(5Z)-3-butyl-5-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione	non-polymer		346.2	2	Chemie (A1C2O) PubChem (2174870)
9	EA, FA, GA, U, V... (D, C)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
10	LA, MA, NA, OA (A, B, C, D)	water	water		18.0	539	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 364 (UniProt: Q99986)

PDB	External Database	Details
Ser 1	-	expression tag
Met 2	-	expression tag
Ala 34	Lys 34	engineered mutation
Ala 35	Lys 35	engineered mutation
Ala 36	Glu 36	engineered mutation
Ala 212	Glu 212	engineered mutation
Ala 214	Lys 214	engineered mutation
Ala 215	Glu 215	engineered mutation
Ala 292	Glu 292	engineered mutation
Ala 293	Lys 293	engineered mutation
Ala 295	Lys 295	engineered mutation
Ala 359	Lys 359	engineered mutation
Ala 360	Lys 360	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	164552.5
Non-Polymers*	Number of molecules	33
	Total formula weight	2978.6
All*	Total formula weight	167531.0

*Water molecules are not included.