Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86428 | Target Info | |||
| Target Name | CAAX farnesyltransferase beta (FNTB) | ||||
| Synonyms | RAS proteins prenyltransferasebeta; FTase-beta; FNTB; CAAX farnesyltransferase beta subunit | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | FNTB | ||||
| Biochemical Class | Alkyl aryl transferase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | SQ-32709 | Ligand Info | |||
| Canonical SMILES | CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C | ||||
| InChI | 1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+ | ||||
| InChIKey | VWFJDQUYCIWHTN-YFVJMOTDSA-N | ||||
| PubChem Compound ID | 445713 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1LD8 Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 49 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
PVWSEPLYSL
526 RPEHARERLQ536 DDSVETVTSI546 EQAKVEEKIQ556 EVFSSYKFNH566 LVPRLVLQRE 576 KHFHYLKRGL586 RQLTDAYECL596 DASRPWLCYW606 ILHSLELLDE616 PIPQIVATDV 626 CQFLELCQSP636 EGGFGGGPGQ646 YPHLAPTYAA656 VNALCIIGTE666 EAYDIINREK 676 LLQYLYSLKQ686 PDGSFLMHVG696 GEVDVRSAYC706 AASVASLTNI716 ITPDLFEGTA 726 EWIARCQNWE736 GGIGGVPGME746 AHGGYTFCGL756 AALVILKRER766 SLNLKSLLQW 776 VTSRQMRFEG786 GFQGRCNKLV796 DGCYSFWQAG806 LLPLLHRALH816 AQGDPALSMS 826 HWMFHQQALQ836 EYILMCCQCP846 AGGLLDKPGK856 SRDFYHTCYC866 LSGLSIAQHF 876 GSGAMLHDVV886 LGVPENALQP896 THPVYNIGPD906 KVIQATTYFL916 QKPVPGF |
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| PDB ID: 1S63 Human protein farnesyltransferase complexed with L-778,123 and FPP | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
SSPVWSEPLY
24 SLRPEHARER34 LQDDSVETVT44 SIEQAKVEEK54 IQEVFSSYKF64 NHLVPRLVLQ 74 REKHFHYLKR84 GLRQLTDAYE94 CLDASRPWLC104 YWILHSLELL114 DEPIPQIVAT 124 DVCQFLELCQ134 SPEGGFGGGP144 GQYPHLAPTY154 AAVNALCIIG164 TEEAYDIINR 174 EKLLQYLYSL184 KQPDGSFLMH194 VGGEVDVRSA204 YCAASVASLT214 NIITPDLFEG 224 TAEWIARCQN234 WEGGIGGVPG244 MEAHGGYTFC254 GLAALVILKR264 ERSLNLKSLL 274 QWVTSRQMRF284 EGGFQGRCNK294 LVDGCYSFWQ304 AGLLPLLHRA314 LHAQGDPALS 324 MSHWMFHQQA334 LQEYILMCCQ344 CPAGGLLDKP354 GKSRDFYHTC364 YCLSGLSIAQ 374 HFGSGAMLHD384 VVLGVPENAL394 QPTHPVYNIG404 PDKVIQATTY414 FLQKPVPGFE 424
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| PDB ID: 1LD7 Co-crystal structure of Human Farnesyltransferase with farnesyldiphosphate and inhibitor compound 66 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
PVWSEPLYSL
526 RPEHARERLQ536 DDSVETVTSI546 EQAKVEEKIQ556 EVFSSYKFNH566 LVPRLVLQRE 576 KHFHYLKRGL586 RQLTDAYECL596 DASRPWLCYW606 ILHSLELLDE616 PIPQIVATDV 626 CQFLELCQSP636 EGGFGGGPGQ646 YPHLAPTYAA656 VNALCIIGTE666 EAYDIINREK 676 LLQYLYSLKQ686 PDGSFLMHVG696 GEVDVRSAYC706 AASVASLTNI716 ITPDLFEGTA 726 EWIARCQNWE736 GGIGGVPGME746 AHGGYTFCGL756 AALVILKRER766 SLNLKSLLQW 776 VTSRQMRFEG786 GFQGRCNKLV796 DGCYSFWQAG806 LLPLLHRALH816 AQGDPALSMS 826 HWMFHQQALQ836 EYILMCCQCP846 AGGLLDKPGK856 SRDFYHTCYC866 LSGLSIAQHF 876 GSGAMLHDVV886 LGVPENALQP896 THPVYNIGPD906 KVIQATTYFL916 QKPVPGF |
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| PDB ID: 1MZC Co-Crystal Structure Of Human Farnesyltransferase With Farnesyldiphosphate and Inhibitor Compound 33a | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [3] |
| PDB Sequence |
PVWSEPLYSL
526 RPEHARERLQ536 DDSVETVTSI546 EQAKVEEKIQ556 EVFSSYKFNH566 LVPRLVLQRE 576 KHFHYLKRGL586 RQLTDAYECL596 DASRPWLCYW606 ILHSLELLDE616 PIPQIVATDV 626 CQFLELCQSP636 EGGFGGGPGQ646 YPHLAPTYAA656 VNALCIIGTE666 EAYDIINREK 676 LLQYLYSLKQ686 PDGSFLMHVG696 GEVDVRSAYC706 AASVASLTNI716 ITPDLFEGTA 726 EWIARCQNWE736 GGIGGVPGME746 AHGGYTFCGL756 AALVILKRER766 SLNLKSLLQW 776 VTSRQMRFEG786 GFQGRCNKLV796 DGCYSFWQAG806 LLPLLHRALH816 AQGDPALSMS 826 HWMFHQQALQ836 EYILMCCQCP846 AGGLLDKPGK856 SRDFYHTCYC866 LSGLSIAQHF 876 GSGAMLHDVV886 LGVPENALQP896 THPVYNIGPD906 KVIQATTYFL916 QKPVPGF |
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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 .FPP or .FPP2 or .FPP3 or :3FPP;style chemicals stick;color identity;select .B:602 or .B:654 or .B:702 or .B:705 or .B:706 or .B:748 or .B:750 or .B:751 or .B:754 or .B:790 or .B:791 or .B:794 or .B:795 or .B:797 or .B:800 or .B:803 or .B:861; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1SA4 human protein farnesyltransferase complexed with FPP and R115777 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
SSPVWSEPLY
24 SLRPEHARER34 LQDDSVETVT44 SIEQAKVEEK54 IQEVFSSYKF64 NHLVPRLVLQ 74 REKHFHYLKR84 GLRQLTDAYE94 CLDASRPWLC104 YWILHSLELL114 DEPIPQIVAT 124 DVCQFLELCQ134 SPEGGFGGGP144 GQYPHLAPTY154 AAVNALCIIG164 TEEAYDIINR 174 EKLLQYLYSL184 KQPDGSFLMH194 VGGEVDVRSA204 YCAASVASLT214 NIITPDLFEG 224 TAEWIARCQN234 WEGGIGGVPG244 MEAHGGYTFC254 GLAALVILKR264 ERSLNLKSLL 274 QWVTSRQMRF284 EGGFQGRCNK294 LVDGCYSFWQ304 AGLLPLLHRA314 LHAQGDPALS 324 MSHWMFHQQA334 LQEYILMCCQ344 CPAGGLLDKP354 GKSRDFYHTC364 YCLSGLSIAQ 374 HFGSGAMLHD384 VVLGVPENAL394 QPTHPVYNIG404 PDKVIQATTY414 FLQKPVPGFE 424
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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 .FPP or .FPP2 or .FPP3 or :3FPP;style chemicals stick;color identity;select .B:102 or .B:154 or .B:202 or .B:205 or .B:206 or .B:248 or .B:250 or .B:251 or .B:254 or .B:290 or .B:291 or .B:294 or .B:295 or .B:297 or .B:300 or .B:303 or .B:361; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1JCQ CRYSTAL STRUCTURE OF HUMAN PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH FARNESYL DIPHOSPHATE AND THE PEPTIDOMIMETIC INHIBITOR L-739,750 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [5] |
| PDB Sequence |
SSPVWSEPLY
24 SLRPEHARER34 LQDDSVETVT44 SIEQAKVEEK54 IQEVFSSYKF64 NHLVPRLVLQ 74 REKHFHYLKR84 GLRQLTDAYE94 CLDASRPWLC104 YWILHSLELL114 DEPIPQIVAT 124 DVCQFLELCQ134 SPEGGFGGGP144 GQYPHLAPTY154 AAVNALCIIG164 TEEAYDIINR 174 EKLLQYLYSL184 KQPDGSFLMH194 VGGEVDVRSA204 YCAASVASLT214 NIITPDLFEG 224 TAEWIARCQN234 WEGGIGGVPG244 MEAHGGYTFC254 GLAALVILKR264 ERSLNLKSLL 274 QWVTSRQMRF284 EGGFQGRCNK294 LVDGCYSFWQ304 AGLLPLLHRA314 LHAQGDPALS 324 MSHWMFHQQA334 LQEYILMCCQ344 CPAGGLLDKP354 GKSRDFYHTC364 YCLSGLSIAQ 374 HFGSGAMLHD384 VVLGVPENAL394 QPTHPVYNIG404 PDKVIQATTY414 FLQKPVPGFE 424
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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 .FPP or .FPP2 or .FPP3 or :3FPP;style chemicals stick;color identity;select .B:102 or .B:151 or .B:154 or .B:202 or .B:205 or .B:206 or .B:248 or .B:250 or .B:251 or .B:254 or .B:290 or .B:291 or .B:294 or .B:295 or .B:300 or .B:303 or .B:361; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 2F0Y Crystal Structure Of Human Protein Farnesyltransferase Complexed With Farnesyl Diphosphate and hydantoin derivative | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [6] |
| PDB Sequence |
EPLYSLRPEH
30 ARERLQDDSV40 ETVTSIEQAK50 VEEKIQEVFS60 SYKRLVLQRE76 KHFHYLKRGL 86 RQLTDAYECL96 DASRPWLCYW106 ILHSLELLDE116 PIPQIVATDV126 CQFLELCQSP 136 EGGFGGGPGQ146 YPHLAPTYAA156 VNALCIIGTE166 EAYDIINREK176 LLQYLYSLKQ 186 PDGSFLMHVG196 GEVDVRSAYC206 AASVASLTNI216 ITPDLFEGTA226 EWIARCQNWE 236 GGIGGVPGME246 AHGGYTFCGL256 AALVILKRER266 SLNLKSLLQW276 VTSRQMRFEG 286 GFQGRCNKLV296 DGCYSFWQAG306 LLPLLHRALH316 AQGDPALSMS326 HWMFHQQALQ 336 EYILMCCQCP346 AGGLLDKPGK356 SRDFYHTCYC366 LSGLSIAQHF376 GSGAMLHDVV 386 LGVPENALQP396 THPVYNIGPD406 KVIQATTYFL416 QKPVP
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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 .FPP or .FPP2 or .FPP3 or :3FPP;style chemicals stick;color identity;select .B:102 or .B:154 or .B:193 or .B:202 or .B:205 or .B:206 or .B:248 or .B:250 or .B:251 or .B:254 or .B:290 or .B:291 or .B:294 or .B:295 or .B:300 or .B:303 or .B:361; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency. J Med Chem. 2002 Jun 6;45(12):2388-409. | ||||
| REF 2 | Crystallographic analysis reveals that anticancer clinical candidate L-778,123 inhibits protein farnesyltransferase and geranylgeranyltransferase-I by different binding modes. Biochemistry. 2004 Jul 20;43(28):9000-8. | ||||
| REF 3 | Dual protein farnesyltransferase-geranylgeranyltransferase-I inhibitors as potential cancer chemotherapeutic agents. J Med Chem. 2003 Jul 3;46(14):2973-84. | ||||
| REF 4 | Crystal structures of the anticancer clinical candidates R115777 (Tipifarnib) and BMS-214662 complexed with protein farnesyltransferase suggest a mechanism of FTI selectivity. Biochemistry. 2004 Jun 8;43(22):6877-84. | ||||
| REF 5 | The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics. Proc Natl Acad Sci U S A. 2001 Nov 6;98(23):12948-53. | ||||
| REF 6 | Crystal Structure Of Human Protein Farnesyltransferase Complexed With Farnesyl Diphosphate and hydantoin derivative | ||||
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