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Ligands
Code Name Style Show Link
JUP 4-(2-amino-5-{4-[(dimethylamino)methyl]thiophen-2-yl}pyridin-3-yl)-2-{(1r)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
Non-standard Residues
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Glycosylation
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Modification
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Code : 4A4X   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : NEK2-EDE bound to CCT248662
Release Data : 2012-04-25
Compound :
mol_id molecule chains synonym
1 SERINE/THREONINE-PROTEIN KINASE NEK2 A HSPK 21, NEVER IN MITOSIS A-RELATED KINASE 2, NIMA-RELATED PROTEIN KINASE 2, NIMA-LIKE PROTEIN KINASE 1, NEK2
ec: 2.7.11.1
fragment: CATALYTIC DOMAIN, RESIDUES 1- 271
mutation: YES
Source :
mol_id organism_scientific organism_common expression_system
1 HOMO SAPIENS  (taxid:9606) HUMAN ESCHERICHIA COLI  (taxid:469008)
expression_system_strain: BL21(DE3)
expression_system_variant: CODONPLUS RPIL
Authors : Mas-Droux, C., Bayliss, R.
Keywords : TRANSFERASE, PROTEIN KINASE, MITOSIS
Exp. method : X-RAY DIFFRACTION ( 2.400 Å )
Citation :

Design of Potent and Selective Hybrid Inhibitors of the Mitotic Kinase Nek2: Structure-Activity Relationship, Structural Biology, and Cellular Activity.

Innocenti, P.,Cheung, K.M.,Solanki, S.  et al.
(2012)  J.Med.Chem.  55 : 3228

PubMed: 22404346
DOI: 10.1021/JM201683B

Chain : A
UniProt : P51955 (NEK2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 -
-