Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(3-Bromophenyl)-8-Fluoroquinoline-4-Carboxylic Acid | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC(=C1)Br)C2=NC3=C(C=CC=C3F)C(=C2)C(=O)O | ||||
| InChI | 1S/C16H9BrFNO2/c17-10-4-1-3-9(7-10)14-8-12(16(20)21)11-5-2-6-13(18)15(11)19-14/h1-8H,(H,20,21) | ||||
| InChIKey | AONAJNHHHRKZDU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 80043125 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5DPV Aurora A Kinase in Complex with AA35 and JNJ-7706621 in Space Group P6122 | ||||||
| Method | X-ray diffraction | Resolution | 2.29 Å | Mutation | Yes | [1] |
| PDB Sequence |
QWALEDFEIG
136 RPLGKGKFGN146 VYLAREKQSK156 FILALKVLFK166 AQLEKAGVEH176 QLRREVEIQS 186 HLRHPNILRL196 YGYFHDATRV206 YLILEYAPLG216 TVYRELQKLS226 KFDEQRTATY 236 ITELANALSY246 CHSKRVIHRD256 IKPENLLLGS266 AGELKIADFG276 WSVHAPSCGT 292 LDYLPPEMIE302 GRMHDEKVDL312 WSLGVLCYEF322 LVGKPPFEAN332 TYQETYKRIS 342 RVEFTFPDFV352 TEGARDLISR362 LLKHNPSQRP372 MLREVLEHPW382 ITANSSK |
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| PDB ID: 5DT4 Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | ||||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [1] |
| PDB Sequence |
QWALEDFEIG
136 RPLGKGKFGN146 VYLAREKQSK156 FILALKVLFK166 AQLEKAGVEH176 QLRREVEIQS 186 HLRHPNILRL196 YGYFHDATRV206 YLILEYAPLG216 TVYRELQKLS226 KFDEQRTATY 236 ITELANALSY246 CHSKRVIHRD256 IKPENLLLGS266 AGELKIADFG276 WSVHAPSSCG 291 TLDYLPPEMI301 EGRMHDEKVD311 LWSLGVLCYE321 FLVGKPPFEA331 NTYQETYKRI 341 SRVEFTFPDF351 VTEGARDLIS361 RLLKHNPSQR371 PMLREVLEHP381 WITANSSKP |
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| PDB ID: 5DOS Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 | ||||||
| Method | X-ray diffraction | Resolution | 2.98 Å | Mutation | Yes | [1] |
| PDB Sequence |
QWALEDFEIG
136 RPLGKGKFGN146 VYLAREKQSK156 FILALKVLFK166 AQLEKAGVEH176 QLRREVEIQS 186 HLRHPNILRL196 YGYFHDATRV206 YLILEYAPLG216 TVYRELQKLS226 KFDEQRTATY 236 ITELANALSY246 CHSKRVIHRD256 IKPENLLLGS266 AGELKIADFG276 WSVHAPSSCG 291 TLDYLPPEMI301 EGRMHDEKVD311 LWSLGVLCYE321 FLVGKPPFEA331 NTYQETYKRI 341 SRVEFTFPDF351 VTEGARDLIS361 RLLKHNPSQR371 PMLREVLEHP381 WITANSSKP |
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| PDB ID: 5DN3 Aurora A in complex with ATP and AA35. | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
KRQWALEDFE
134 IGRPLGKGKF144 GNVYLAREKQ154 SKFILALKVL164 FKAQLEKAGV174 EHQLRREVEI 184 QSHLRHPNIL194 RLYGYFHDAT204 RVYLILEYAP214 LGTVYRELQK224 LSKFDEQRTA 234 TYITELANAL244 SYCHSKRVIH254 RDIKPENLLL264 GSAGELKIAD274 FGWSVHAPSS 284 RRTLCGTLDY295 LPPEMIEGRM305 HDEKVDLWSL315 GVLCYEFLVG325 KPPFEANTYQ 335 ETYKRISRVE345 FTFPDFVTEG355 ARDLISRLLK365 HNPSQRPMLR375 EVLEHPWITA 385 NSSK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5DN or .5DN2 or .5DN3 or :35DN;style chemicals stick;color identity;select .A:166 or .A:169 or .A:170 or .A:175 or .A:178 or .A:182 or .A:199 or .A:201 or .A:206 or .A:208; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| 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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