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 AMP-PNP Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
InChI 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKey PVKSNHVPLWYQGJ-KQYNXXCUSA-N
PubChem Compound ID 33113
Drug Binding Sites of Target  Top
PDB ID: 2DWB      Aurora-A kinase complexed with AMPPNP
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [1]
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
TLCGTLDYLP
297
PEIEGRHDEK
309
VDLWSLGVLC
319
YEFLVGKPPF
329

EANTYQETYK
339
RISRVEFTFP
349
DFVTEGARDL
359
ISRLLKHNPS
369
QRPLREVLEH
380

PWITANSSK
Residue
Distance (Å)
LEU139
3.742
GLY140
3.339
LYS141
3.993
GLY142
3.378
LYS143
2.890
PHE144
4.436
VAL147
3.550
ALA160
3.538
LYS162
2.814
LEU194
3.596
LEU210
4.018
Residue
Distance (Å)
GLU211
2.777
TYR212
3.923
ALA213
3.152
THR217
3.059
ASP256
3.730
LYS258
4.354
GLU260
3.370
ASN261
2.619
LEU263
3.573
ASP274
2.485
PDB ID: 2C6D      Aurora A kinase activated mutant (T287D) in complex with ADPNP
Method X-ray diffraction Resolution 2.20 Å Mutation No [2]
PDB Sequence
RQWALEDFEI
134
GRPLGKGKFG
144
NVYLAREKQS
154
KFILALKVLF
164
KAQLEKAGVE
174

HQLRREVEIQ
184
SHLRHPNILR
194
LYGYFHDATR
204
VYLILEYAPL
214
GTVYRELQKL
224

SKFDEQRTAT
234
YITELANALS
244
YCHSKRVIHR
254
DIKPENLLLG
264
SAGELKIADF
274

GWSVHGTLDY
294
LPPEMIEGRM
304
HDEKVDLWSL
314
GVLCYEFLVG
324
KPPFEANTYQ
334

ETYKRISRVE
344
FTFPDFVTEG
354
ARDLISRLLK
364
HNPSQRPMLR
374
EVLEHPWITA
384

NSSKP
Residue
Distance (Å)
LEU138
3.358
GLY139
3.704
VAL146
3.593
ALA159
3.789
LYS161
3.660
LEU193
3.502
LEU209
4.022
GLU210
2.910
TYR211
3.762
Residue
Distance (Å)
ALA212
3.187
THR216
3.834
GLU259
3.766
ASN260
3.420
LEU262
3.614
TRP276
4.188
SER277
3.204
VAL278
2.713
HIS279
4.534
References  Top
REF 1 Aurora-A kinase complexed with AMPPNP
REF 2 SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1320-3.

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