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 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE Ligand Info
Canonical SMILES CCOCCOCCOCC
InChI 1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3
InChIKey RRQYJINTUHWNHW-UHFFFAOYSA-N
PubChem Compound ID 8179
Drug Binding Sites of Target  Top
PDB ID: 6CPE      Structure of apo, dephosphorylated Aurora A (122-403) in an active conformation
Method X-ray diffraction Resolution 2.45 Å Mutation No [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

WSVHAPSSTL
293
DYLPPEMIEG
303
RMHDEKVDLW
313
SLGVLCYEFL
323
VGKPPFEANT
333

YQETYKRISR
343
VEFTFPDFVT
353
EGARDLISRL
363
LKHNPSQRPM
373
LREVLEHPWI
383

TANSSK
Residue
Distance (Å)
LEU225
2.866
SER226
2.126
LYS227
1.787
PHE228
3.317
Residue
Distance (Å)
ASP229
2.730
GLU230
4.888
LEU323
4.594
PHE351
2.767
PDB ID: 5LXM      Crystal structure of Aurora-A bound to a hydrocarbon-stapled proteomimetic of TPX2
Method X-ray diffraction Resolution 2.08 Å Mutation Yes [2]
PDB Sequence
RQWALEDFEI
135
GRPLGKGKFG
145
NVYLAREKQS
155
KFILALKVLF
165
KAQLEKAGVE
175

HQLRREVEIQ
185
SHLRHPNILR
195
LYGYFHDATR
205
VYLILEYAPL
215
GTVYRELQKL
225

SKFDEQRTAT
235
YITELANALS
245
YCHSKRVIHR
255
DIKPENLLLG
265
SAGELKIADF
275

GWSVHAPSSR
285
RTLAGTLDYL
296
PPEMIEGRMH
306
DEKVDLWSLG
316
VLCYEFLVGK
326

PPFEANTYQE
336
TYKRISRVEF
346
TFPDFVTEGA
356
RDLISRLLKH
366
NPSQRPMLRE
376

VLEHPWITAN
386
SSKPSN
Residue
Distance (Å)
TRP277
3.778
LEU289
3.586
ALA290
4.820
GLY291
3.290
THR292
4.327
Residue
Distance (Å)
LEU293
4.112
LEU296
4.212
TYR334
3.902
TYR338
2.879
References  Top
REF 1 Dynamics of human protein kinase Aurora A linked to drug selectivity. Elife. 2018 Jun 14;7:e36656.
REF 2 A TPX2 Proteomimetic Has Enhanced Affinity for Aurora-A Due to Hydrocarbon Stapling of a Helix. ACS Chem Biol. 2016 Dec 16;11(12):3383-3390.

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