Structure of PDB 2xke Chain A

Receptor sequence
>2xkeA (length=243) Species: 9606 (Homo sapiens) [Search protein sequence]
SRAEDYEVLYTIGTGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSE
VNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKER
QYLDEEFVLRVMTQLTLALKECHRRSDLKPANVFLDGKQNVKLGDFTPYY
MSPEQMNNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIREGKFRRI
PYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH
3D structure
PDB2xke Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
ChainA
Resolution2.203 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D141 K143 A145 N146 D159 T179
Catalytic site (residue number reindexed from 1) D127 K129 A131 N132 D145 T147
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 WI2 A I14 C22 K37 Y70 M86 C89 G92 F148 D159 I12 C17 K32 Y65 M81 C84 G87 F134 D145 MOAD: ic50=4.2uM
PDBbind-CN: -logKd/Ki=5.38,IC50=4.2uM
BindingDB: IC50=4200nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function

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Biological Process
External links
PDB RCSB:2xke, PDBe:2xke, PDBj:2xke
PDBsum2xke
PubMed20936789
UniProtP51955|NEK2_HUMAN Serine/threonine-protein kinase Nek2 (Gene Name=NEK2)

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