Structure of PDB 2xne Chain A

Receptor sequence
>2xneA (length=246) Species: 9606 (Homo sapiens) [Search protein sequence]
QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFGVEHQLRREVE
IQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRT
ATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIANFGWSVHAPT
LDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRIS
RVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSS
3D structure
PDB2xne Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.
ChainA
Resolution2.8 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 N274 T292
Catalytic site (residue number reindexed from 1) D123 K125 E127 N128 N141 T150
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 ASH A R137 L139 G140 K141 A160 A213 P214 G216 T217 R11 L13 G14 K15 A34 A80 P81 G83 T84 PDBbind-CN: -logKd/Ki=6.72,IC50=0.190uM
BindingDB: IC50=190nM
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:2xne, PDBe:2xne, PDBj:2xne
PDBsum2xne
PubMed20833547
UniProtO14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)

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