Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T87675 Target Info
Target Name Aurora kinase A (AURKA)
Synonyms hARK1; Serine/threonine-protein kinase aurora-A; Serine/threonine-protein kinase 6; Serine/threonine-protein kinase 15; Serine/threonine kinase 15; STK6; STK15; IAK1; Breast tumor-amplified kinase; BTAK; Aurora/IPL1-related kinase 1; Aurora-related kinase 1; Aurora-A; Aurora 2; AYK1; AURA; ARK1; ARK-1; AIRK1; AIK
Target Type Clinical trial Target
Gene Name AURKA
Biochemical Class Kinase
UniProt ID
AURKA_HUMAN
Ligand General Information  Top
Ligand Name 2-(3-Bromophenyl)quinoline-4-carboxylic acid Ligand Info
Canonical SMILES C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)Br)C(=O)O
InChI 1S/C16H10BrNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
InChIKey KBIDGMKRLPPRNG-UHFFFAOYSA-N
PubChem Compound ID 673699
Drug Binding Sites of Target  Top
PDB ID: 5DR2      Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122
Method X-ray diffraction Resolution 2.46 Å Mutation Yes [1]
PDB Sequence
QWALEDFEIG
136
RPLGKGKFGN
146
VYLAREKQSK
156
FILALKVLFK
166
AQLEKAGVEH
176

QLRREVEIQS
186
HLRHPNILRL
196
YGYFHDATRV
206
YLILEYAPLG
216
TVYRELQKLS
226

KFDEQRTATY
236
ITELANALSY
246
CHSKRVIHRD
256
IKPENLLLGS
266
AGELKIADFG
276

WSVHAPSSRR
286
ATLCGTLDYL
296
PPEMIEGRMH
306
DEKVDLWSLG
316
VLCYEFLVGK
326

PPFEANTYQE
336
TYKRISRVEF
346
TFPDFVTEGA
356
RDLISRLLKH
366
NPSQRPMLRE
376

VLEHPWITAN
386
SSKP
Residue
Distance (Å)
LYS166
3.434
LEU169
3.886
GLU170
3.582
GLU175
2.987
LEU178
3.643
ARG179
3.346
Residue
Distance (Å)
VAL182
3.842
TYR199
3.708
HIS201
3.483
VAL206
3.767
LEU208
4.835
PDB ID: 5DR6      Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122
Method X-ray diffraction Resolution 2.53 Å Mutation Yes [1]
PDB Sequence
QWALEDFEIG
136
RPLGKGKFGN
146
VYLAREKQSK
156
FILALKVLFK
166
AQLEKAGVEH
176

QLRREVEIQS
186
HLRHPNILRL
196
YGYFHDATRV
206
YLILEYAPLG
216
TVYRELQKLS
226

KFDEQRTATY
236
ITELANALSY
246
CHSKRVIHRD
256
IKPENLLLGS
266
AGELKIADFG
276

WSVHAPCGTL
293
DYLPPEMIEG
303
RMHDEKVDLW
313
SLGVLCYEFL
323
VGKPPFEANT
333

YQETYKRISR
343
VEFTFPDFVT
353
EGARDLISRL
363
LKHNPSQRPM
373
LREVLEHPWI
383

TANSSKP
Residue
Distance (Å)
LYS166
2.899
LEU169
4.581
GLU170
3.833
GLU175
3.046
LEU178
3.837
ARG179
2.975
Residue
Distance (Å)
VAL182
3.747
TYR199
3.531
HIS201
3.502
VAL206
3.587
LEU208
4.759
References  Top
REF 1 Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep. 2016 Jun 24;6:28528.

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