Structure of PDB 4b0g Chain A

Receptor sequence
>4b0gA (length=247) Species: 9606 (Homo sapiens) [Search protein sequence]
RQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLVEHQLR
REVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFD
EQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFGWSV
TLDYLPPEMIEHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRV
EFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPS
3D structure
PDB4b0g Optimization of Imidazo[4,5-B]Pyridine-Based Kinase Inhibitors: Identification of a Dual Flt3/Aurora Kinase Inhibitor as an Orally Bioavailable Preclinical Development Candidate for the Treatment of Acute Myeloid Leukemia.
ChainA
Resolution2.5 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) D127 K129 E131 N132 D145 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 VEK A L139 G140 K141 G142 K143 G145 N146 V147 K162 Y212 A213 G216 L263 L14 G15 K16 G17 K18 G20 N21 V22 K37 Y83 A84 G87 L134 MOAD: ic50=0.015uM
PDBbind-CN: -logKd/Ki=7.82,IC50=15nM
BindingDB: IC50=15nM
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:4b0g, PDBe:4b0g, PDBj:4b0g
PDBsum4b0g
PubMed23043539
UniProtO14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)

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