BioLiP

Structure of PDB 2xkf Chain A

Receptor sequence

>2xkfA (length=250) Species: 9606 (Homo sapiens) [Search protein sequence]

SRAEDYEVLYTIGTGRCQKIRRKSDGKILVWKELDYGSMTEAEKQMLVSE
VNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKER
QYLDEEFVLRVMTQLTLALKECHRRSRDLKPANVFLDGKQNVKLGDFFVG
TPYYMSPEQMNRSYNEKSDIWSLGCLLYELCALMPPFTAFSQKELAGKIR
EGKFRRIPYRYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH

3D structure

PDB

2xkf Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.

Chain

Resolution

2.35 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)	D128 K130 A132 N133 D146 T151
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	BX1	A	I14 K37 Y70 M86 Y88 C89 G92 D93 F148 D159	I12 K32 Y65 M81 Y83 C84 G87 D88 F135 D146	MOAD: ic50=0.87uM PDBbind-CN: -logKd/Ki=6.06,IC50=0.87uM BindingDB: IC50=410nM

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

PDB	RCSB:2xkf, PDBe:2xkf, PDBj:2xkf
PDBsum	2xkf
PubMed	20936789
UniProt	P51955\|NEK2_HUMAN Serine/threonine-protein kinase Nek2 (Gene Name=NEK2)