Structure of PDB 4jai Chain A

Receptor sequence
>4jaiA (length=249) Species: 9606 (Homo sapiens) [Search protein sequence]
RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVE
HQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKL
SKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADF
TLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRI
SRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKP
3D structure
PDB4jai SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.
ChainA
Resolution3.2 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 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 XU2 A L139 V147 A160 K162 Q185 L208 L210 Y212 A213 G216 L263 F275 L14 V22 A35 K37 Q60 L83 L85 Y87 A88 G91 L138 F150 PDBbind-CN: -logKd/Ki=8.40,IC50=4nM
BindingDB: IC50=4.0nM
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:4jai, PDBe:4jai, PDBj:4jai
PDBsum4jai
PubMed23570792
UniProtO14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)

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