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 | 4-Amino-1-hydroxybutane-1,1-diyldiphosphonate | Ligand Info | |||
| Canonical SMILES | C(CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])CN | ||||
| InChI | 1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4 | ||||
| InChIKey | OGSPWJRAVKPPFI-UHFFFAOYSA-J | ||||
| PubChem Compound ID | 5459353 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4KQU Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | ||||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | Yes | [1] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EHPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 PRKQDADSLQ83 RAWTVGWCVE93 LLQAFFLVAD103 DIMDSSLTRR113 GQICWYQKPG 123 VGLDAINDAN133 LLEACIYRLL143 KLYCREQPYY153 LNLIELFLQS163 SYQTEIGQTL 173 DLLTAPQGNV183 DLVRFTEKRY193 KSIVKYKTAF203 ASFYLPIAAA213 MYMAGIDGEK 223 EHANAKKILL233 EMGEFFQIQD243 DYLDLFGDPS253 VTGKIGTDIQ263 DNKCSWLVVQ 273 CLQRATPEQY283 QILKENYGQK293 EAEKVARVKA303 LYEELDLPAV313 FLQYEEDSYS 323 HIMALIEQYA333 APLPPAVFLG343 LARKIYKRRK353
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| PDB ID: 2F92 Crystal structure of human FPPS in complex with alendronate | ||||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [2] |
| 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 IYK
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | ||||
| REF 2 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. ChemMedChem. 2006 Feb;1(2):267-73. | ||||
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