Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T10052 | Target Info | |||
| Target Name | G1/S-specific cyclin-E1 (CCNE1) | ||||
| Synonyms | G1/S-specific cyclin E; Cyclin E; CCNE | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CCNE1 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonothreonine | Ligand Info | |||
| Canonical SMILES | CC(C(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 | ||||
| InChIKey | USRGIUJOYOXOQJ-GBXIJSLDSA-N | ||||
| PubChem Compound ID | 3246323 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5L2W The X-ray co-crystal structure of human CDK2/CyclinE and Dinaciclib. | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
SPLPVLSWAN
97 REEVWKIMLN107 KEKTYLRDQH117 FLEQHPLLQP127 KMRAILLDWL137 MEVCEVYKLH 147 RETFYLAQDF157 FDRYMATQEN167 VVKTLLQLIG177 ISSLFIAAKL187 EEIYPPKLHQ 197 FAYVTDGACS207 GDEILTMELM217 IMKALKWRLS227 PLTIVSWLNV237 YMQVAYLNDL 247 HEVLLPQYPQ257 QIFIQIAELL267 DLCVLDVDCL277 EFPYGILAAS287 ALYHFSSSEL 297 MQKVSGYQWC307 DIENCVKWMV317 PFAMVIRETG327 SSKLKHFRGV337 ADEDAHNIQT 347 HRDSLDLLDK357
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| PDB ID: 7KJS Crystal structure of CDK2/cyclin E in complex with PF-06873600 | ||||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | No | [2] |
| PDB Sequence |
SPLPANREEV
101 WKIMLNKEKT111 YLRDQHFLEQ121 HPLLQPKMRA131 ILLDWLMEVC141 EVYKLHRETF 151 YLAQDFFDRY161 MATQENVVKT171 LLQLIGISSL181 FIAAKLEEIY191 PPKLHQFAYV 201 TDGACSGDEI211 LTMELMIMKA221 LKWRLSPLTI231 VSWLNVYMQV241 AYLEVLLPQY 255 PQQIFIQIAE265 LLDLCVLDVD275 CLEFPYGILA285 ASALYHFSSS295 ELMQKVSGYQ 305 WCDIENCVKW315 MVPFAMVIRE325 TGSSKLKHFR335 GVADEDAHNI345 QTHRDSLDLL 355 DK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance. Mol Cancer Ther. 2016 Oct;15(10):2273-2281. | ||||
| REF 2 | Discovery of PF-06873600, a CDK2/4/6 Inhibitor for the Treatment of Cancer. J Med Chem. 2021 Jul 8;64(13):9056-9077. | ||||
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