Structure of PDB 5obr Chain A

Receptor sequence
>5obrA (length=255) Species: 9606 (Homo sapiens) [Search protein sequence]
RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVE
HQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKL
SKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADF
GWSVHGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQ
ETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITA
NSSKP
3D structure
PDB5obr Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction.
ChainA
Resolution2.62 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) D131 K133 E135 N136 D149 T157
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 9QT A K166 E175 L178 R179 Y199 H201 V206 K41 E50 L53 R54 Y74 H76 V81 PDBbind-CN: -logKd/Ki=5.36,Ki=4.4uM
BS02 SKE A R137 L139 V147 A160 E211 A213 G216 L263 R12 L14 V22 A35 E86 A88 G91 L138 BindingDB: Kd=250nM,IC50=11nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0005524 ATP binding
Biological Process
GO:0000212 meiotic spindle organization
GO:0000226 microtubule cytoskeleton organization
GO:0000278 mitotic cell cycle
GO:0006468 protein phosphorylation
GO:0007052 mitotic spindle organization
GO:0007098 centrosome cycle
GO:0007100 mitotic centrosome separation
GO:0051321 meiotic cell cycle

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Molecular Function

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Biological Process
External links
PDB RCSB:5obr, PDBe:5obr, PDBj:5obr
PDBsum5obr
PubMed28787041
UniProtO14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)

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