Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58470 | Target Info | |||
| Target Name | Cyclin A2 (CCNA2) | ||||
| Synonyms | Cyclin-A2; Cyclin-A; Cyclin A; CCNA | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | CCNA2 | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 4-Fluoro-L-phenylalanine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)F | ||||
| InChI | 1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1 | ||||
| InChIKey | XWHHYOYVRVGJJY-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 716312 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2UUE REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | ||||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [1] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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| PDB ID: 2C5V Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [2] |
| PDB Sequence |
VPDYHEDIHT
184 YLREMEVKCK194 PKVGYMKKQP204 DITNSMRAIL214 VDWLVEVGEE224 YKLQNETLHL 234 AVNYIDRFLS244 SMSVLRGKLQ254 LVGTAAMLLA264 SKFEEIYPPE274 VAEFVYITDD 284 TYTKKQVLRM294 EHLVLKVLTF304 DLAAPTVNQF314 LTQYFLHQQP324 ANCKVESLAM 334 FLGELSLIDA344 DPYLKYLPSV354 IAGAAFHLAL364 YTVTGQSWPE374 SLIRKTGYTL 384 ESLKPCLMDL394 HQTYLKAPQH404 AQQSIREKYK414 NSKYHGVSLL424 NPPETLNL |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | REPLACE: a strategy for iterative design of cyclin-binding groove inhibitors. Chembiochem. 2006 Dec;7(12):1909-15. | ||||
| REF 2 | Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design. Chem Biol. 2006 Feb;13(2):201-11. | ||||
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