Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86528 | Target Info | |||
| Target Name | Geranyltranstransferase (FDPS) | ||||
| Synonyms | KIAA1293; Geranylgeranyl pyrophosphate synthase; Geranylgeranyl diphosphate synthase; GGPS1; GGPPSase; GGPP synthase; Farnesyltranstransferase; Farnesyl pyrophosphate synthase; Farnesyl diphosphate synthase; FPS protein; FPP synthase; Dimethylallyltranstransferase; (2E,6E)-farnesyl diphosphate synthase | ||||
| Target Type | Successful Target | ||||
| Gene Name | FDPS | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Taxodione | Ligand Info | |||
| Canonical SMILES | CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C | ||||
| InChI | 1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 | ||||
| InChIKey | FNNZMRSRVYUVQT-AZUAARDMSA-N | ||||
| PubChem Compound ID | 73588 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4P0X Human farnesyl diphosphate synthase in complex with Taxodione | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [1] |
| PDB Sequence |
AQEKQDFVQH
20 FSQIVRVLTE30 GHPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 KQDADSLQRA85 WTVGWCVELL95 QAFFLVADDI105 MDSSLTRRGQ115 ICWYQKPGVG 125 LDAINDANLL135 EACIYRLLKL145 YCREQPYYLN155 LIELFLQSSY165 QTEIGQTLDL 175 LTAPQDLVRF188 TEKRYKSIVK198 YKTAFYSFYL208 PIAAAMYMAG218 IDGEKEHANA 228 KKILLEMGEF238 FQIQDDYLDL248 FGDPSVTGKI258 GTDIQDNKCS268 WLVVQCLQRA 278 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE319 DSYSHIMALI 329 EQYAAPLPPA339 VFLGLARKIY349
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| PDB ID: 4P0V Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEMGHPE37 IGDAIARLKE47 VLEYNAIGGK57 YNRGLTVVVA 67 FRELVEPRKQ77 DADSLQRAWT87 VGWCVELLQA97 FFLVADDIMD107 SSLTRRGQIC 117 WYQKPGVGLD127 AINDANLLEA137 CIYRLLKLYC147 REQPYYLNLI157 ELFLQSSYQT 167 EIGQTLDLLT177 APQGNVDLVR187 FTEKRYKSIV197 KYKTAFYSFY207 LPIAAAMYMA 217 GIDGEKEHAN227 AKKILLEMGE237 FFQIQDDYLD247 LFGDPSVTGK257 IGTDIQDNKC 267 SWLVVQCLQR277 ATPEQYQILK287 ENYGQKEAEK297 VARVKALYEE307 LDLPAVFLQY 317 EEDSYSHIMA327 LIEQYAAPLP337 PAVFLGLARK347 IYKRRK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Taxodione and arenarone inhibit farnesyl diphosphate synthase by binding to the isopentenyl diphosphate site. Proc Natl Acad Sci U S A. 2014 Jun 24;111(25):E2530-9. | ||||
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