Target Binding Site Detail

Content Navigation (  All   None )                                      
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 adenosine diphosphate Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
InChI 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey XTWYTFMLZFPYCI-KQYNXXCUSA-N
PubChem Compound ID 6022
Drug Binding Sites of Target  Top
PDB ID: 5L8L      Aurora-A kinase domain in complex with vNAR-D01 (crystal form 1)
Method X-ray diffraction Resolution 1.67 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
RTLAGTLDYL
296
PPEMIEGRMH
306
DEKVDLWSLG
316
VLCYEFLVGK
326

PPFEANTYQE
336
TYKRISRVEF
346
TFPDFVTEGA
356
RDLISRLLKH
366
NPSQRPMLRE
376

VLEHPWITAN
386
SSK
Residue
Distance (Å)
LEU139
3.576
GLY140
3.638
LYS141
3.674
GLY142
3.309
LYS143
2.851
VAL147
3.378
ALA160
3.653
LYS162
2.836
Residue
Distance (Å)
LEU194
3.714
LEU210
4.023
GLU211
2.802
TYR212
3.906
ALA213
3.052
THR217
3.909
ASN261
4.480
LEU263
3.715
PDB ID: 5L8J      Aurora-A kinase domain in complex with vNAR-D01 S93R
Method X-ray diffraction Resolution 1.68 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

GWSTLDYLPP
298
EMIEGRMHDE
308
KVDLWSLGVL
318
CYEFLVGKPP
328
FEANTYQETY
338

KRISRVEFTF
348
PDFVTEGARD
358
LISRLLKHNP
368
SQRPMLREVL
378
EHPWITANSS
388

KPS
Residue
Distance (Å)
LEU139
3.645
GLY140
3.389
LYS141
4.037
GLY142
3.258
LYS143
2.653
PHE144
4.721
VAL147
3.612
ALA160
3.559
LYS162
2.822
Residue
Distance (Å)
LEU194
3.838
LEU210
4.099
GLU211
2.883
TYR212
3.875
ALA213
3.054
PRO214
4.961
THR217
4.361
LEU263
3.731
PDB ID: 5G1X      Crystal structure of Aurora-A kinase in complex with N-Myc
Method X-ray diffraction Resolution 1.72 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
SSK
Residue
Distance (Å)
LEU139
3.789
GLY140
3.546
LYS141
3.683
GLY142
3.172
LYS143
2.758
PHE144
4.461
VAL147
3.570
ALA160
3.579
LYS162
2.759
GLU181
4.825
Residue
Distance (Å)
LEU194
3.431
LEU210
3.956
GLU211
2.644
TYR212
3.880
ALA213
3.061
THR217
3.293
GLU260
2.700
ASN261
3.035
LEU263
3.468
ASP274
2.880
PDB ID: 5L8K      Aurora-A kinase domain in complex with vNAR-D01 (crystal form 2)
Method X-ray diffraction Resolution 1.79 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
RTLAGTLDYL
296
PPEMIEGRMH
306
DEKVDLWSLG
316
VLCYEFLVGK
326

PPFEANTYQE
336
TYKRISRVEF
346
TFPDFVTEGA
356
RDLISRLLKH
366
NPSQRPMLRE
376

VLEHPWITAN
386
SSKPSN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:147 or .A:160 or .A:162 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:217 or .A:260 or .A:261 or .A:263; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.763
GLY140
3.288
LYS141
4.305
GLY142
3.290
LYS143
2.842
PHE144
4.743
VAL147
3.564
ALA160
3.595
LYS162
2.907
LEU194
3.689
Residue
Distance (Å)
LEU210
4.019
GLU211
2.691
TYR212
3.739
ALA213
2.897
PRO214
4.960
THR217
3.814
GLU260
4.794
ASN261
4.525
LEU263
3.671
PDB ID: 6R4A      Aurora-A in complex with shape-diverse fragment 55
Method X-ray diffraction Resolution 1.94 Å Mutation Yes [3]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.870
GLY140
3.497
LYS141
4.064
GLY142
3.251
LYS143
3.293
PHE144
3.288
GLY145
2.893
VAL147
3.610
ALA160
3.467
LYS162
2.793
GLU181
4.614
Residue
Distance (Å)
LEU194
3.642
LEU210
4.127
GLU211
2.749
TYR212
4.128
ALA213
3.138
THR217
3.410
GLU260
2.714
ASN261
3.027
LEU263
3.536
ASP274
2.873
PDB ID: 6R4D      Aurora-A in complex with shape-diverse fragment 58
Method X-ray diffraction Resolution 2.01 Å Mutation Yes [3]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.870
GLY140
3.543
LYS141
3.799
GLY142
3.057
LYS143
3.081
PHE144
2.619
GLY145
4.149
VAL147
3.641
ALA160
3.689
LYS162
2.802
Residue
Distance (Å)
LEU194
3.528
LEU210
4.065
GLU211
2.724
TYR212
4.173
ALA213
3.221
THR217
3.263
GLU260
2.695
ASN261
3.035
LEU263
3.641
ASP274
2.968
PDB ID: 6R4C      Aurora-A in complex with shape-diverse fragment 57
Method X-ray diffraction Resolution 2.04 Å Mutation Yes [3]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.749
GLY140
3.537
LYS141
4.064
GLY142
3.328
LYS143
3.156
PHE144
3.311
GLY145
2.990
VAL147
3.566
ALA160
3.534
LYS162
2.594
GLU181
4.658
Residue
Distance (Å)
LEU194
3.541
LEU210
4.060
GLU211
2.700
TYR212
4.075
ALA213
3.133
THR217
3.270
GLU260
2.782
ASN261
3.061
LEU263
3.644
ASP274
2.829
PDB ID: 4CEG      Crystal structure of Aurora A 122-403 C290A, C393A bound to ADP
Method X-ray diffraction Resolution 2.10 Å Mutation Yes [4]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.758
GLY140
3.468
LYS141
3.823
GLY142
3.287
LYS143
3.394
PHE144
3.118
GLY145
2.724
VAL147
3.395
ALA160
3.611
LYS162
2.754
GLU181
4.574
Residue
Distance (Å)
LEU194
3.361
LEU210
3.934
GLU211
2.682
TYR212
4.080
ALA213
3.158
THR217
3.413
GLU260
2.745
ASN261
2.990
LEU263
3.434
ASP274
2.941
PDB ID: 6R4B      Aurora-A in complex with shape-diverse fragment 56
Method X-ray diffraction Resolution 2.15 Å Mutation No [3]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.572
GLY140
3.398
LYS141
3.944
GLY142
3.069
LYS143
3.167
PHE144
3.543
GLY145
3.133
VAL147
3.571
ALA160
3.674
LYS162
2.819
GLU181
4.839
Residue
Distance (Å)
LEU194
3.529
LEU210
4.121
GLU211
2.642
TYR212
4.027
ALA213
3.162
THR217
3.295
GLU260
2.837
ASN261
3.070
LEU263
3.598
ASP274
2.881
PDB ID: 6R49      Aurora-A in complex with shape-diverse fragment 39
Method X-ray diffraction Resolution 2.21 Å Mutation Yes [3]
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

WSVHAPSSRG
291
TLDYLPPEMI
301
EGRMHDEKVD
311
LWSLGVLCYE
321
FLVGKPPFEA
331

NTYQETYKRI
341
SRVEFTFPDF
351
VTEGARDLIS
361
RLLKHNPSQR
371
PMLREVLEHP
381

WITANSSKPS
391
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.621
GLY140
3.532
LYS141
3.867
GLY142
3.184
LYS143
3.241
PHE144
3.579
GLY145
3.258
VAL147
3.470
ALA160
3.611
LYS162
2.774
GLU181
4.855
Residue
Distance (Å)
LEU194
3.601
LEU210
4.006
GLU211
2.682
TYR212
4.072
ALA213
3.169
THR217
3.214
GLU260
2.705
ASN261
3.031
LEU263
3.573
ASP274
2.906
PDB ID: 4BN1      Crystal structure of V174M mutant of Aurora-A kinase
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [5]
PDB Sequence
RQWALEDFEI
135
GRPLGKGKFG
145
NVYLAREKQS
155
KFILALKVLF
165
KAQLEKAGME
175

HQLRREVEIQ
185
SHLRHPNILR
195
LYGYFHDATR
205
VYLILEYAPL
215
GTVYRELQKL
225

SKFDEQRTAT
235
YITELANALS
245
YCHSKRVIHR
255
DIKPENLLLG
265
SAGELKIADF
275

GWSVHAPSSR
285
RLCGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
S
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:217 or .A:220 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
2.869
GLY140
3.210
LYS141
3.133
GLY142
2.923
LYS143
3.459
PHE144
3.252
GLY145
2.610
VAL147
3.508
ALA160
3.613
LYS162
2.611
GLU181
4.781
LEU194
2.904
Residue
Distance (Å)
LEU210
3.315
GLU211
1.887
TYR212
3.214
ALA213
2.866
PRO214
4.918
THR217
2.775
ARG220
2.456
GLU260
1.911
ASN261
3.439
LEU263
3.178
ASP274
3.279
PDB ID: 5ODT      Aurora-A in complex with TACC3
Method X-ray diffraction Resolution 2.02 Å Mutation Yes [6]
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
SAGELKIANF
275

GWSVHAGTLD
294
YLPPEMIEGR
304
MHDEKVDLWS
314
LGVLCYEFLV
324
GKPPFEANTY
334

QETYKRISRV
344
EFTFPDFVTE
354
GARDLISRLL
364
KHNPSQRPML
374
REVLEHPWIT
384

ANSSKPSN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:147 or .A:160 or .A:162 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:273 or .A:277 or .A:278 or .A:279 or .A:280; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.644
GLY140
3.982
VAL147
3.992
ALA160
3.758
LYS162
3.170
LEU194
3.356
LEU210
4.061
GLU211
2.712
TYR212
3.695
ALA213
3.214
Residue
Distance (Å)
THR217
3.740
GLU260
4.425
ASN261
4.283
LEU263
3.595
ALA273
4.239
TRP277
4.184
SER278
2.815
VAL279
2.783
HIS280
3.107
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 [7]
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
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:147 or .A:160 or .A:162 or .A:164 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.533
GLY140
3.208
LYS141
4.214
GLY142
3.613
LYS143
3.267
PHE144
4.435
VAL147
3.511
ALA160
3.493
LYS162
2.416
LEU164
4.912
GLU181
4.517
Residue
Distance (Å)
LEU194
3.528
LEU210
4.300
GLU211
2.483
TYR212
4.025
ALA213
3.079
THR217
3.124
GLU260
3.432
ASN261
3.262
LEU263
3.471
ASP274
2.747
PDB ID: 1OL5      Structure of Aurora-A 122-403, phosphorylated on Thr287, Thr288 and bound to TPX2 1-43
Method X-ray diffraction Resolution 2.50 Å Mutation No [8]
PDB Sequence
SKKRQWALED
132
FEIGRPLGKG
142
KFGNVYLARE
152
KQSKFILALK
162
VLFKAQLEKA
172

GVEHQLRREV
182
EIQSHLRHPN
192
ILRLYGYFHD
202
ATRVYLILEY
212
APLGTVYREL
222

QKLSKFDEQR
232
TATYITELAN
242
ALSYCHSKRV
252
IHRDIKPENL
262
LLGSAGELKI
272

ADFGWSVHAP
282
SSRRLCGTLD
294
YLPPEMIEGR
304
MHDEKVDLWS
314
LGVLCYEFLV
324

GKPPFEANTY
334
QETYKRISRV
344
EFTFPDFVTE
354
GARDLISRLL
364
KHNPSQRPML
374

REVLEHPWIT
384
ANSS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:145 or .A:147 or .A:160 or .A:162 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.773
GLY140
3.682
LYS141
3.995
GLY142
3.167
LYS143
3.710
GLY145
4.891
VAL147
3.671
ALA160
3.459
LYS162
2.873
LEU194
3.455
Residue
Distance (Å)
LEU210
4.158
GLU211
3.026
TYR212
4.310
ALA213
3.376
THR217
3.126
GLU260
2.682
ASN261
3.397
LEU263
3.589
ASP274
2.896
PDB ID: 1OL7      Structure of Human Aurora-A 122-403 phosphorylated on Thr287, Thr288
Method X-ray diffraction Resolution 2.75 Å Mutation No [8]
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
LCGTLDYLPP
298
EMIEGRMHDE
308
KVDLWSLGVL
318
CYEFLVGKPP
328

FEANTYQETY
338
KRISRVEFTF
348
PDFVTEGARD
358
LISRLLKHNP
368
SQRPMLREVL
378

EHPWITANSS
388
KP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:145 or .A:147 or .A:160 or .A:162 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.570
GLY140
3.639
LYS141
3.451
GLY142
3.239
LYS143
3.428
GLY145
4.591
VAL147
3.517
ALA160
3.384
LYS162
2.670
LEU194
3.993
Residue
Distance (Å)
LEU210
4.220
GLU211
2.970
TYR212
4.328
ALA213
3.774
THR217
3.350
GLU260
2.820
ASN261
3.090
LEU263
3.705
ASP274
2.836
PDB ID: 4DEE      Aurora A in complex with ADP
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [9]
PDB Sequence
KKRQWALEDF
133
EIGRPLGKGK
143
FGNVYLAREK
153
QSKFILALKV
163
LFKAQLEKAG
173

VEHQLRREVE
183
IQSHLRHPNI
193
LRLYGYFHDA
203
TRVYLILEYA
213
PLGTVYRELQ
223

KLSKFDEQRT
233
ATYITELANA
243
LSYCHSKRVI
253
HRDIKPENLL
263
LGSAGELKIA
273

DFGWSVHAPS
283
SRRDTLCGTL
293
DYLPPEMIEG
303
RMHDEKVDLW
313
SLGVLCYEFL
323

VGKPPFEANT
333
YQETYKRISR
343
VEFTFPDFVT
353
EGARDLISRL
363
LKHNPSQRPM
373

LREVLEHPWI
383
TANSSKPSNC
393
Q
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.600
GLY140
3.476
LYS141
3.448
GLY142
3.140
LYS143
2.703
PHE144
4.446
VAL147
3.464
ALA160
3.670
LYS162
2.869
GLU181
4.541
Residue
Distance (Å)
LEU194
3.355
LEU210
3.924
GLU211
2.684
TYR212
4.099
ALA213
3.133
THR217
3.363
GLU260
2.607
ASN261
2.946
LEU263
3.505
ASP274
3.090
PDB ID: 1MQ4      Crystal Structure of Aurora-A Protein Kinase
Method X-ray diffraction Resolution 1.90 Å Mutation No [10]
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
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
S
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.634
GLY140
3.475
LYS141
3.559
GLY142
3.056
LYS143
2.628
PHE144
4.439
VAL147
3.502
ALA160
3.613
LYS162
2.643
GLU181
4.647
Residue
Distance (Å)
LEU194
3.425
LEU210
3.912
GLU211
2.696
TYR212
4.101
ALA213
3.167
THR217
3.298
GLU260
2.599
ASN261
2.962
LEU263
3.419
ASP274
2.854
PDB ID: 5OS5      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.74 Å Mutation No [11]
PDB Sequence
KRQWALEDFE
134
IGRPLGKGKF
144
GNVYLAREKQ
154
SKFILALKVL
164
FKAQLEKAGV
174

EHQLRREVEI
184
QSHLRHPNIL
194
RLYGYFHDAT
204
RVYLILEYAP
214
LGTVYRELQK
224

LSKFDEQRTA
234
TYITELANAL
244
SYCHSKRVIH
254
RDIKPENLLL
264
GSAGELKIAD
274

FGWSVHAPSS
284
RRTLAGTLDY
295
LPPEMIEGRM
305
HDEKVDLWSL
315
GVLCYEFLVG
325

KPPFEANTYQ
335
ETYKRISRVE
345
FTFPDFVTEG
355
ARDLISRLLK
365
HNPSQRPMLR
375

EVLEHPWITA
385
NSSKPSN
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.771
GLY140
3.559
LYS141
3.792
GLY142
3.091
LYS143
3.389
PHE144
3.561
GLY145
3.090
VAL147
3.695
ALA160
3.684
LYS162
2.803
GLU181
4.917
Residue
Distance (Å)
LEU194
3.468
LEU210
4.027
GLU211
2.682
TYR212
4.029
ALA213
3.126
THR217
3.380
GLU260
2.732
ASN261
3.068
LEU263
3.454
ASP274
2.922
PDB ID: 5OSD      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.99 Å Mutation No [11]
PDB Sequence
KRQWALEDFE
134
IGRPLGKGKF
144
GNVYLAREKQ
154
SKFILALKVL
164
FKAQLEKAGV
174

EHQLRREVEI
184
QSHLRHPNIL
194
RLYGYFHDAT
204
RVYLILEYAP
214
LGTVYRELQK
224

LSKFDEQRTA
234
TYITELANAL
244
SYCHSKRVIH
254
RDIKPENLLL
264
GSAGELKIAD
274

FGWSVHAPSS
284
RRTLAGTLDY
295
LPPEMIEGRM
305
HDEKVDLWSL
315
GVLCYEFLVG
325

KPPFEANTYQ
335
ETYKRISRVE
345
FTFPDFVTEG
355
ARDLISRLLK
365
HNPSQRPMLR
375

EVLEHPWITA
385
NSSKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.860
GLY140
3.566
LYS141
4.001
GLY142
3.252
LYS143
3.354
PHE144
3.543
GLY145
3.018
VAL147
3.548
ALA160
3.598
LYS162
2.639
GLU181
4.729
Residue
Distance (Å)
LEU194
3.582
LEU210
4.097
GLU211
2.578
TYR212
4.032
ALA213
3.127
THR217
3.159
GLU260
2.874
ASN261
3.077
LEU263
3.553
ASP274
2.986
PDB ID: 5ORL      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.69 Å Mutation Yes [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.807
GLY140
3.607
LYS141
3.930
GLY142
3.504
LYS143
3.534
PHE144
3.046
GLY145
2.699
VAL147
3.518
ALA160
3.578
LYS162
2.730
GLU181
4.437
Residue
Distance (Å)
LEU194
3.565
LEU210
3.961
GLU211
2.729
TYR212
4.139
ALA213
3.239
THR217
3.418
GLU260
2.741
ASN261
3.116
LEU263
3.619
ASP274
2.946
PDB ID: 5OS0      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.74 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.812
GLY140
3.450
LYS141
3.929
GLY142
3.118
LYS143
3.317
PHE144
3.494
GLY145
3.110
VAL147
3.575
ALA160
3.561
LYS162
2.813
GLU181
4.866
Residue
Distance (Å)
LEU194
3.564
LEU210
4.102
GLU211
2.718
TYR212
4.085
ALA213
3.147
THR217
3.444
GLU260
2.657
ASN261
3.068
LEU263
3.519
ASP274
2.913
PDB ID: 5OS3      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.81 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.811
GLY140
3.472
LYS141
3.900
GLY142
3.153
LYS143
3.313
PHE144
3.443
GLY145
3.045
VAL147
3.592
ALA160
3.611
LYS162
2.743
GLU181
4.698
Residue
Distance (Å)
LEU194
3.589
LEU210
4.074
GLU211
2.688
TYR212
4.119
ALA213
3.192
THR217
3.335
GLU260
2.752
ASN261
3.086
LEU263
3.531
ASP274
3.021
PDB ID: 5ORV      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.88 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.749
GLY140
3.472
LYS141
4.065
GLY142
3.164
LYS143
3.333
PHE144
3.531
GLY145
2.958
VAL147
3.626
ALA160
3.526
LYS162
2.727
GLU181
4.724
Residue
Distance (Å)
LEU194
3.588
LEU210
4.186
GLU211
2.756
TYR212
4.139
ALA213
3.172
THR217
3.360
GLU260
2.751
ASN261
3.054
LEU263
3.506
ASP274
2.857
PDB ID: 5ORX      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.88 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.739
GLY140
3.394
LYS141
3.722
GLY142
3.017
LYS143
3.266
PHE144
3.902
GLY145
3.387
VAL147
3.616
ALA160
3.702
LYS162
2.767
GLU181
4.868
Residue
Distance (Å)
LEU194
3.480
LEU210
4.097
GLU211
2.701
TYR212
4.045
ALA213
3.111
THR217
3.254
GLU260
2.738
ASN261
3.136
LEU263
3.494
ASP274
2.949
PDB ID: 5OS4      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.88 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.830
GLY140
3.449
LYS141
4.004
GLY142
3.007
LYS143
3.235
PHE144
3.728
GLY145
3.147
VAL147
3.608
ALA160
3.469
LYS162
2.669
GLU181
4.832
Residue
Distance (Å)
LEU194
3.572
LEU210
4.143
GLU211
2.742
TYR212
4.081
ALA213
3.128
THR217
3.332
GLU260
2.743
ASN261
3.013
LEU263
3.497
ASP274
2.884
PDB ID: 5OSF      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.89 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.782
GLY140
3.603
LYS141
3.901
GLY142
3.174
LYS143
3.321
PHE144
3.529
GLY145
3.308
VAL147
3.537
ALA160
3.442
LYS162
2.884
GLU181
4.956
Residue
Distance (Å)
LEU194
3.539
LEU210
4.069
GLU211
2.706
TYR212
4.059
ALA213
3.153
THR217
3.320
GLU260
2.752
ASN261
2.995
LEU263
3.459
ASP274
2.868
PDB ID: 5OS1      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.90 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.856
GLY140
3.579
LYS141
3.828
GLY142
3.064
LYS143
3.254
PHE144
3.698
GLY145
3.203
VAL147
3.698
ALA160
3.588
LYS162
2.747
GLU181
4.879
Residue
Distance (Å)
LEU194
3.575
LEU210
4.063
GLU211
2.656
TYR212
4.071
ALA213
3.153
THR217
3.320
GLU260
2.695
ASN261
3.075
LEU263
3.577
ASP274
2.904
PDB ID: 5OSE      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.90 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.867
GLY140
3.517
LYS141
3.964
GLY142
3.159
LYS143
3.330
PHE144
3.551
GLY145
3.058
VAL147
3.638
ALA160
3.597
LYS162
2.646
GLU181
4.721
Residue
Distance (Å)
LEU194
3.623
LEU210
4.056
GLU211
2.670
TYR212
4.067
ALA213
3.154
THR217
3.238
GLU260
2.760
ASN261
3.050
LEU263
3.598
ASP274
2.889
PDB ID: 5ORZ      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.92 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.738
GLY140
3.538
LYS141
4.066
GLY142
3.303
LYS143
3.349
PHE144
3.581
GLY145
3.284
VAL147
3.503
ALA160
3.594
LYS162
2.666
GLU181
4.827
Residue
Distance (Å)
LEU194
3.573
LEU210
4.113
GLU211
2.606
TYR212
4.058
ALA213
3.197
THR217
3.159
GLU260
3.025
ASN261
3.069
LEU263
3.579
ASP274
2.962
PDB ID: 5OS2      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.92 Å Mutation No [11]
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

WSVHAPSSRA
290
GTLDYLPPEM
300
IEGRMHDEKV
310
DLWSLGVLCY
320
EFLVGKPPFE
330

ANTYQETYKR
340
ISRVEFTFPD
350
FVTEGARDLI
360
SRLLKHNPSQ
370
RPMLREVLEH
380

PWITANSSKP
390
S
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.793
GLY140
3.498
LYS141
3.881
GLY142
3.030
LYS143
3.067
PHE144
4.017
GLY145
3.627
VAL147
3.641
ALA160
3.561
LYS162
2.789
GLU181
4.886
Residue
Distance (Å)
LEU194
3.496
LEU210
4.133
GLU211
2.651
TYR212
4.082
ALA213
3.170
THR217
3.285
GLU260
2.770
ASN261
2.981
LEU263
3.564
ASP274
2.891
PDB ID: 5ORS      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.98 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.878
GLY140
3.630
LYS141
3.984
GLY142
3.147
LYS143
3.245
PHE144
3.476
GLY145
3.148
VAL147
3.587
ALA160
3.618
LYS162
2.736
GLU181
4.697
Residue
Distance (Å)
LEU194
3.478
LEU210
4.048
GLU211
2.696
TYR212
4.127
ALA213
3.184
THR217
3.357
GLU260
2.724
ASN261
2.969
LEU263
3.563
ASP274
2.781
PDB ID: 5ORY      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 1.99 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.839
GLY140
3.619
LYS141
4.047
GLY142
3.405
LYS143
3.514
PHE144
3.809
GLY145
3.295
VAL147
3.580
ALA160
3.542
LYS162
2.714
GLU181
4.804
Residue
Distance (Å)
LEU194
3.544
LEU210
4.104
GLU211
2.610
TYR212
4.099
ALA213
3.188
THR217
3.168
GLU260
3.030
ASN261
3.168
LEU263
3.565
ASP274
2.888
PDB ID: 5ORW      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.00 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.867
GLY140
3.498
LYS141
3.815
GLY142
3.096
LYS143
3.315
PHE144
3.886
GLY145
3.560
VAL147
3.671
ALA160
3.657
LYS162
2.754
GLU181
4.835
Residue
Distance (Å)
LEU194
3.499
LEU210
4.141
GLU211
2.738
TYR212
4.136
ALA213
3.177
THR217
3.245
GLU260
2.805
ASN261
3.108
LEU263
3.506
ASP274
2.940
PDB ID: 5ORR      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.09 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.883
GLY140
3.526
LYS141
4.022
GLY142
3.425
LYS143
3.569
PHE144
3.603
GLY145
2.964
VAL147
3.626
ALA160
3.555
LYS162
2.610
GLU181
4.905
Residue
Distance (Å)
LEU194
3.666
LEU210
4.152
GLU211
2.729
TYR212
4.159
ALA213
3.249
THR217
3.179
GLU260
2.995
ASN261
3.128
LEU263
3.710
ASP274
2.916
PDB ID: 5ORO      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.12 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.695
GLY140
3.569
LYS141
4.104
GLY142
3.249
LYS143
3.294
PHE144
3.725
GLY145
3.233
VAL147
3.695
ALA160
3.613
LYS162
2.761
GLU181
4.903
Residue
Distance (Å)
LEU194
3.635
LEU210
4.128
GLU211
2.721
TYR212
4.191
ALA213
3.287
THR217
3.137
GLU260
2.728
ASN261
3.166
LEU263
3.611
ASP274
3.038
PDB ID: 5ORN      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.19 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.765
GLY140
3.515
LYS141
4.099
GLY142
3.104
LYS143
3.384
PHE144
3.896
GLY145
3.513
VAL147
3.563
ALA160
3.637
LYS162
2.808
GLU181
4.838
Residue
Distance (Å)
LEU194
3.510
LEU210
4.211
GLU211
2.683
TYR212
4.097
ALA213
3.252
THR217
3.244
GLU260
2.708
ASN261
3.023
LEU263
3.512
ASP274
2.915
PDB ID: 5ORP      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.19 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.726
GLY140
3.387
LYS141
3.970
GLY142
3.075
LYS143
3.267
PHE144
3.846
GLY145
3.339
VAL147
3.690
ALA160
3.643
LYS162
2.850
GLU181
4.898
Residue
Distance (Å)
LEU194
3.510
LEU210
4.141
GLU211
2.733
TYR212
4.134
ALA213
3.191
THR217
3.238
GLU260
2.735
ASN261
3.126
LEU263
3.495
ASP274
3.135
PDB ID: 5OS6      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.20 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.725
GLY140
3.513
LYS141
3.927
GLY142
3.281
LYS143
3.304
PHE144
3.607
GLY145
3.199
VAL147
3.462
ALA160
3.613
LYS162
2.762
GLU181
4.746
Residue
Distance (Å)
LEU194
3.635
LEU210
4.137
GLU211
2.824
TYR212
4.093
ALA213
3.305
THR217
3.306
GLU260
2.808
ASN261
2.895
LEU263
3.490
ASP274
2.853
PDB ID: 5ORT      Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Method X-ray diffraction Resolution 2.56 Å Mutation No [11]
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
TLAGTLDYLP
297
PEMIEGRMHD
307
EKVDLWSLGV
317
LCYEFLVGKP
327

PFEANTYQET
337
YKRISRVEFT
347
FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377

LEHPWITANS
387
SKPS
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:144 or .A:145 or .A:147 or .A:160 or .A:162 or .A:181 or .A:194 or .A:210 or .A:211 or .A:212 or .A:213 or .A:217 or .A:260 or .A:261 or .A:263 or .A:274; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LEU139
3.651
GLY140
3.435
LYS141
3.974
GLY142
3.676
LYS143
3.764
PHE144
3.474
GLY145
2.915
VAL147
3.643
ALA160
3.669
LYS162
2.893
GLU181
4.604
Residue
Distance (Å)
LEU194
3.757
LEU210
4.246
GLU211
2.976
TYR212
4.308
ALA213
3.406
THR217
3.362
GLU260
2.633
ASN261
3.067
LEU263
3.449
ASP274
2.914
PDB ID: 2WQE      Structure of S155R Aurora-A somatic mutant
Method X-ray diffraction Resolution 2.50 Å Mutation Yes [12]
PDB Sequence
QWALEDFEIG
136
RPLGKGKFGN
146
VYLAREKQRK
156
FILALKVLFK
166
AQLEKAGVEH
176

QLRREVEIQS
186
HLRHPNILRL
196
YGYFHDATRV
206
YLILEYAPLG
216
TVYRELQKLS
226

KFDEQRTATY
236
ITELANALSY
246
CHSKRVIHRD
256
IKPENLLLGS
266
AGELKIADGT
292

LDYLPPEMID
307
EKVDLWSLGV
317
LCYEFLVGKP
327
PFEANTYQET
337
YKRISRVEFT
347

FPDFVTEGAR
357
DLISRLLKHN
367
PSQRPMLREV
377
LEHPWITANS
387
S
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:128 or .A:139 or .A:140 or .A:141 or .A:142 or .A:143 or .A:145 or .A:147 or .A:149 or .A:151 or .A:152 or .A:155 or .A:157 or .A:158 or .A:159 or .A:160 or .A:162 or .A:189 or .A:194 or .A:195 or .A:197 or .A:198 or .A:209 or .A:210 or .A:211 or .A:212 or .A:213 or .A:214 or .A:217 or .A:261 or .A:263 or .A:266; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
TRP128
4.630
LEU139
3.627
GLY140
3.605
LYS141
3.467
GLY142
3.471
LYS143
3.270
GLY145
4.997
VAL147
3.382
LEU149
4.511
ARG151
4.384
GLU152
4.500
ARG155
3.063
PHE157
3.141
ILE158
3.108
LEU159
3.480
ALA160
3.673
Residue
Distance (Å)
LYS162
3.029
ARG189
4.391
LEU194
3.423
ARG195
2.531
TYR197
3.091
GLY198
4.662
ILE209
4.895
LEU210
3.993
GLU211
2.595
TYR212
3.672
ALA213
2.939
PRO214
3.537
THR217
3.403
ASN261
4.504
LEU263
3.541
SER266
2.475
References  Top
REF 1 Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain. Open Biol. 2016 Jul;6(7):160089.
REF 2 Structural basis of N-Myc binding by Aurora-A and its destabilization by kinase inhibitors. Proc Natl Acad Sci U S A. 2016 Nov 29;113(48):13726-13731.
REF 3 Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry. 2019 May 10;25(27):6831-6839.
REF 4 The structure of C290A:C393A Aurora A provides structural insights into kinase regulation. Acta Crystallogr F Struct Biol Commun. 2015 Mar;71(Pt 3):315-9.
REF 5 Insights into Aurora-A kinase activation using unnatural amino acids incorporated by chemical modification. ACS Chem Biol. 2013 Oct 18;8(10):2184-91.
REF 6 Mitotic spindle association of TACC3 requires Aurora-A-dependent stabilization of a cryptic Alpha-helix. EMBO J. 2018 Apr 13;37(8):e97902.
REF 7 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.
REF 8 Structural basis of Aurora-A activation by TPX2 at the mitotic spindle. Mol Cell. 2003 Oct;12(4):851-62.
REF 9 Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors. J Med Chem. 2012 Sep 13;55(17):7392-7416.
REF 10 Structures of the cancer-related Aurora-A, FAK, and EphA2 protein kinases from nanovolume crystallography. Structure. 2002 Dec;10(12):1659-67.
REF 11 Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches. ACS Chem Biol. 2017 Nov 17;12(11):2906-2914.
REF 12 A cancer-associated aurora A mutant is mislocalized and misregulated due to loss of interaction with TPX2. J Biol Chem. 2009 Nov 27;284(48):33177-84.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.