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 | Adenosine | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N | ||||
| InChI | 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 60961 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1MUO CRYSTAL STRUCTURE OF AURORA-2, AN ONCOGENIC SERINE-THREONINE KINASE | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [1] |
| PDB Sequence |
WALEDFEIGR
137 PLGKGKFGNV147 YLAREKQSKF157 ILALKVLFKA167 QLEKAGVEHQ177 LRREVEIQSH 187 LRHPNILRLY197 GYFHDATRVY207 LILEYAPLGT217 VYRELQKLSK227 FDEQRTATYI 237 TELANALSYC247 HSKRVIHRDI257 KPENLLLGSA267 GELKIADFGW277 SLCGTLDYLP 297 PEMIEGRMHD307 EKVDLWSLGV317 LCYEFLVGKP327 PFEANTYQET337 YKRISRVEFT 347 FPDFVTEGAR357 DLISRLLKHN367 PSQRPMLREV377 LEHPWITANS387 S |
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| PDB ID: 4O0S Crystal structures of human kinase Aurora A | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
RQWALEDFEI
135 GRPLGKGKFG145 NVYLAREKQS155 KFILALKVLF165 KAQLEKAGVE175 HQLRREVEIQ 185 SHLRHPNILR195 LYGYFHDATR205 VYLILEYAPL215 GTVYRELQKL225 SKFDEQRTAT 235 YITELANALS245 YCHSKRVIHR255 DIKPENLLLG265 SAGELKIADF275 GWSVHAPSSR 285 RTLCGTLDYL296 PPEMIEGRMH306 DEKVDLWSLG316 VLCYEFLVGK326 PPFEANTYQE 336 TYKRISRVEF346 TFPDFVTEGA356 RDLISRLLKH366 NPSQRPMLRE376 VLEHPWITAN 386 SSKPS
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| PDB ID: 4O0U Crystal structures of human kinase Aurora A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
RQWALEDFEI
135 GRPLGKGKFG145 NVYLAREKQS155 KFILALKVLF165 KAQLEKAGVE175 HQLRREVEIQ 185 SHLRHPNILR195 LYGYFHDATR205 VYLILEYAPL215 GTVYRELQKL225 SKFDEQRTAT 235 YITELANALS245 YCHSKRVIRR255 DIKPENLLLG265 SAGELKIADF275 GWSVHTLCGT 292 LDYLPPEMIE302 GRMHDEKVDL312 WSLGVLCYEF322 LVGKPPFEAN332 TYQETYKRIS 342 RVEFTFPDFV352 TEGARDLISR362 LLKHNPSQRP372 MLREVLEHPW382 ITANSSKPS |
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| PDB ID: 4O0W Crystal structures of human kinase Aurora A | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
KRQWALEDFE
134 IGRPLGKGKF144 GNVYLAREKQ154 SKFILALKVL164 FKAQLEKAGV174 EHQLRREVEI 184 QSHLRHPNIL194 RLYGYFHDAT204 RVYLILEYAP214 LGTVYRELQK224 LSKFDEQRTA 234 TYITELANAL244 SYCHSKRVIY254 RDIKPENLLL264 GSAGELKIAD274 FGWSVHLCGT 292 LDYLPPEMIE302 GRMHDEKVDL312 WSLGVLCYEF322 LVGKPPFEAN332 TYQETYKRIS 342 RVEFTFPDFV352 TEGARDLISR362 LLKHNPSQRP372 MLREVLEHPW382 ITANSSKPS |
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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 .ADN or .ADN2 or .ADN3 or :3ADN;style chemicals stick;color identity;select .A:139 or .A:140 or .A:141 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
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of aurora-2, an oncogenic serine/threonine kinase. J Biol Chem. 2002 Nov 8;277(45):42419-22. | ||||
| REF 2 | Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases | ||||
| REF 3 | Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases | ||||
| REF 4 | Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinase | ||||
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