Structure of PDB 3daj Chain A

Receptor sequence
>3dajA (length=245) Species: 10090 (Mus musculus) [Search protein sequence]
QWTLEDFDIGRPLGKGKFGNVYLARERQSKFILALKVLFKTQLEKAGVEH
QLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLS
RFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSNGELKIADFG
WSTLDYLPPEMIHDEKVDLWSLGVLCYEFLVGMPPFEAHTYQETYRRISR
VEFTFPDFVTEGARDLISRLLKHNASQRLTLAEVLEHPWIKANSS
3D structure
PDB3daj Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D256 K258 E260 N261 D274 T292
Catalytic site (residue number reindexed from 1) D130 K132 E134 N135 D148 T153
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 FXG A L139 K141 G142 K143 F144 N146 V147 A160 K162 L194 Y212 A213 L263 F275 L13 K15 G16 K17 F18 N20 V21 A34 K36 L68 Y86 A87 L137 F149 MOAD: ic50=2.9uM
PDBbind-CN: -logKd/Ki=5.54,IC50=2.9uM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:3daj, PDBe:3daj, PDBj:3daj
PDBsum3daj
PubMed18579375
UniProtP97477|AURKA_MOUSE Aurora kinase A (Gene Name=Aurka)

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