Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Pamidronate | Ligand Info | |||||
| Structure Description | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate | PDB:4KPJ | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [1] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 TEHPEIGDAI42 ARLKEVLEYN52 AIGGKYNRGL62 TVVVAFRELV 72 EPRKQDADSL82 QRAWTVGWCV92 ELLQAFFLVA102 DDIMDSSLTR112 RGQICWYQKP 122 GVGLDAINDA132 NLLEACIYRL142 LKLYCREQPY152 YLNLIELFLQ162 SSYQTEIGQT 172 LDLLTAPQGN182 VDLVRFTEKR192 YKSIVKYKTA202 FASFYLPIAA212 AMYMAGIDGE 222 KEHANAKKIL232 LEMGEFFQIQ242 DDYLDLFGDP252 SVTGKIGTDI262 QDNKCSWLVV 272 QCLQRATPEQ282 YQILKENYGQ292 KEAEKVARVK302 ALYEELDLPA312 VFLQYEEDSY 322 SHIMALIEQY332 AAPLPPAVFL342 GLARKIYK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Minodronate | Ligand Info | |||||
| Structure Description | Human farnesyl diphosphate synthase complexed with MG and minodronate | PDB:3B7L | ||||
| Method | X-ray diffraction | Resolution | 1.95 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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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Risedronate | Ligand Info | |||||
| Structure Description | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | PDB:5CG5 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [3] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RIS or .RIS2 or .RIS3 or :3RIS;style chemicals stick;color identity;select .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:109 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261 or .A:266; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE99
2.721
LEU100
2.673
ASP103
2.468
ASP104
4.429
ASP107
2.780
SER109
4.825
ARG112
1.861
THR167
2.716
GLN171
2.940
ASP174
4.649
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Zoledronate | Ligand Info | |||||
| Structure Description | Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | PDB:3N45 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [4] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZOL or .ZOL2 or .ZOL3 or :3ZOL;style chemicals stick;color identity;select .F:100 or .F:103 or .F:104 or .F:107 or .F:112 or .F:167 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ibandronate | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with ibandronate | PDB:2F94 | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [5] |
| 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 IY
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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 .BFQ or .BFQ2 or .BFQ3 or :3BFQ;style chemicals stick;color identity;select .F:99 or .F:100 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:109 or .F:112 or .F:167 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE99
3.365
LEU100
3.809
ALA102
4.532
ASP103
3.045
ASP104
4.464
MET106
4.327
ASP107
2.784
SER109
4.986
ARG112
2.654
THR167
3.970
GLN171
3.411
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| Ligand Name: Isopentenyl pyrophosphate | Ligand Info | |||||
| Structure Description | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | PDB:4NKE | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [6] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 TEHPEIGDAI42 ARLKEVLEYN52 TIGGKYNRGL62 TVVVAFRELV 72 EPRKQDADSL82 QRAWTVGWCV92 ELLQAFFLVA102 DDIMDSSLTR112 RGQICWYQKP 122 GVGLDAINDA132 NLLEACIYRL142 LKLYCREQPY152 YLNLIELFLQ162 SSYQTEIGQT 172 LDLLTAPQGN182 VDLVRFTEKR192 YKSIVKYKTA202 FYSFYLPIAA212 AMYMAGIDGE 222 KEHANAKKIL232 LEMGEFAQIQ242 DDYLDLFGDP252 SVTGKIGTDI262 QDNKCSWLVV 272 QCLQRATPEQ282 YQILKENYGQ292 KEAEKVARVK302 ALYEELDLPA312 VFLQYEEDSY 322 SHIMALIEQY332 AAPLPPAVFL342 GLARKIYK
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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 .IPE or .IPE2 or .IPE3 or :3IPE;style chemicals stick;color identity;select .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:93 or .A:96 or .A:100 or .A:112 or .A:113 or .A:201 or .A:204 or .A:205 or .A:239 or .A:240 or .A:243; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PMID22390415C13k | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with YS_04_70 | PDB:4DEM | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [7] |
| PDB Sequence |
DVYAQEKQDF
31 VQHFSQIVRV41 LTEDEMGHPE51 IGDAIARLKE61 VLEYNAIGGK71 YNRGLTVVVA 81 FRELVEPRKQ91 DADSLQRAWT101 VGWCVELLQA111 FFLVADDIMD121 SSLTRRGQIC 131 WYQKPGVGLD141 AINDANLLEA151 CIYRLLKLYC161 REQPYYLNLI171 ELFLQSSYQT 181 EIGQTLDLLT191 APQGNVDLVR201 FTEKRYKSIV211 KYKTAFYSFY221 LPIAAAMYMA 231 GIDGEKEHAN241 AKKILLEMGE251 FFQIQDDYLD261 LFGDPSVTGK271 IGTDIQDNKC 281 SWLVVQCLQR291 ATPEQYQILK301 ENYGQKEAEK311 VARVKALYEE321 LDLPAVFLQY 331 EEDSYSHIMA341 LIEQYAAPLP351 PAVFLGLARK361 IYKRRK
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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 .YS4 or .YS42 or .YS43 or :3YS4;style chemicals stick;color identity;select .F:112 or .F:113 or .F:114 or .F:116 or .F:117 or .F:118 or .F:120 or .F:121 or .F:126 or .F:181 or .F:182 or .F:185 or .F:188 or .F:214 or .F:215 or .F:218 or .F:254 or .F:257 or .F:258 or .F:261 or .F:271 or .F:275 or .F:280; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE112
4.017
PHE113
3.256
LEU114
4.815
ALA116
3.917
ASP117
2.949
ASP118
4.337
MET120
3.694
ASP121
2.820
ARG126
2.725
THR181
3.280
GLU182
3.709
GLN185
3.552
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: SQ-32709 | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS with allosterically bound FPP | PDB:5JA0 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [8] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EPEIGDAIAR44 LKEVLEYNAI54 GGKYNRGLTV64 VVAFRELVEP 74 RKQDADSLQR84 AWTVGWCVEL94 LQAFFLVADD104 IMDSSLTRRG114 QICWYQKPGV 124 GLDAINDANL134 LEACIYRLLK144 LYCREQPYYL154 NLIELFLQSS164 YQTEIGQTLD 174 LLTAPQGNVD184 LVRFTEKRYK194 SIVKYKTAFY204 SFYLPIAAAM214 YMAGIDGEKE 224 HANAKKILLE234 MGEFFQIQDD244 YLDLFGDPIG259 TDIQDNKCSW269 LVVQCLQRAT 279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE319 DSYSHIMALI 329 EQYAAPLPPA339 VFLGLARKIY349 K
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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 .F:10 or .F:57 or .F:59 or .F:60 or .F:62 or .F:63 or .F:66 or .F:67 or .F:70 or .F:96 or .F:205 or .F:206 or .F:210 or .F:239 or .F:339 or .F:340 or .F:343 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Pyrophosphate 2- | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate | PDB:4H5D | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [9] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .POP or .POP2 or .POP3 or :3POP;style chemicals stick;color identity;select .F:56 or .F:57 or .F:58 or .F:60 or .F:93 or .F:96 or .F:100 or .F:113 or .F:204 or .F:239 or .F:243 or .F:257 or .F:351 or .F:353; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Isopentyl pyrophosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in ternary complex with YS0470 and isopentenyl pyrophosphate | PDB:4H5E | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [9] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IPR or .IPR2 or .IPR3 or :3IPR;style chemicals stick;color identity;select .F:56 or .F:57 or .F:58 or .F:60 or .F:93 or .F:96 or .F:100 or .F:112 or .F:113 or .F:201 or .F:204 or .F:205 or .F:239 or .F:240 or .F:243 or .F:257 or .F:351 or .F:353; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: NE-10575 | Ligand Info | |||||
| Structure Description | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate | PDB:3RYE | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [10] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
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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 .UNR or .UNR2 or .UNR3 or :3UNR;style chemicals stick;color identity;select .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) | Ligand Info | |||||
| Structure Description | Human FDPS synthase in complex with novel inhibitor | PDB:2RAH | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [11] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349
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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 .11P or .11P2 or .11P3 or :311P;style chemicals stick;color identity;select .A:96 or .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261 or .A:266; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4as,7ar)-Octahydro-1h-Cyclopenta[b]pyridine-6,6-Diylbis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor | PDB:3CP6 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [12] |
| PDB Sequence |
AQEKQDFVQH
20 FSQIVRVLTE30 HPEIGDAIAR44 LKEVLEYNAI54 GGKYNRGLTV64 VVAFRELVEP 74 RKQDADSLQR84 AWTVGWCVEL94 LQAFFLVADD104 IMDSSLTRRG114 QICWYQKPGV 124 GLDAINDANL134 LEACIYRLLK144 LYCREQPYYL154 NLIELFLQSS164 YQTEIGQTLD 174 LLTAPQGNVD184 LVRFTEKRYK194 SIVKYKAAFY204 SFYLPIAAAM214 YMAGIDGEKE 224 HANAKKILLE234 MGEFFQIQDD244 YLDLFGDPSV254 TGKIGTDIQD264 NKCSWLVVQC 274 LQRATPEQYQ284 ILKENYGQKE294 AEKVARVKAL304 YEELDLPAVF314 LQYEEDSYSH 324 IMALIEQYAA334 PLPPAVFLGL344 ARKI
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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 .RSX or .RSX2 or .RSX3 or :3RSX;style chemicals stick;color identity;select .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:203 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [1-Fluoro-2-(Imidazo[1,2-A]pyridin-3-Yl)ethane-1,1-Diyl]bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | PDB:4QPF | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | No | [13] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 TEPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 PRKQDADSLQ83 RAWTVGWCVE93 LLQAFFLVAD103 DIMDSSLTRR113 GQICWYQKPG 123 VGLDAINDAN133 LLEACIYRLL143 KLYCREQPYY153 LNLIELFLQS163 SYQTEIGQTL 173 DLLTAPQGNV183 DLVRFTEKRY193 KSIVKYKTAF203 YSFYLPIAAA213 MYMAGIDGEK 223 EHANAKKILL233 EMGEFFQIQD243 DYLDLFGDPS253 VTGKIGTDIQ263 DNKCSWLVVQ 273 CLQRATPEQY283 QILKENYGQK293 EAEKVARVKA303 LYEELDLPAV313 FLQYEEDSYS 323 HIMALIEQYA333 APLPPAVFLG343 LARKIYK
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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 .39L or .39L2 or .39L3 or :339L;style chemicals stick;color identity;select .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [({5-[4-(Cyclopropyloxy)phenyl]pyridin-3-YL}amino)methanediyl]bis(phosphonic acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with magnesium and JDS05120 | PDB:4NFI | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [14] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEMGHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 KRRK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JD5 or .JD52 or .JD53 or :3JD5;style chemicals stick;color identity;select .F:98 or .F:99 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:112 or .F:167 or .F:168 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
3.510
PHE99
3.313
ALA102
3.530
ASP103
2.920
ASP104
4.496
MET106
3.511
ASP107
2.689
ARG112
2.737
THR167
3.575
GLU168
4.067
GLN171
3.261
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2-{2-[(2s)-3-Methylbutan-2-Yl]-5-Phenyl-1h-Indol-3-Yl}ethane-1,1-Diyl)bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with WC01088 | PDB:4QXS | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [15] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EDEMGHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WC1 or .WC12 or .WC13 or :3WC1;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:96 or .F:205 or .F:206 or .F:239 or .F:242 or .F:243 or .F:246 or .F:254 or .F:255 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1r)-1-{[6-(3-Chloro-4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}-2-(3-Fluorophenyl)ethyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | PDB:6N83 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [16] |
| PDB Sequence |
SDVYAQEKQD
16 FVQHFSQIVR26 VLTEGHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YL6 or .YL62 or .YL63 or :3YL6;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:238 or .F:239 or .F:242 or .F:243 or .F:246 or .F:254 or .F:344 or .F:347 or .F:348 or .F:350; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(1R)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-102 | PDB:6N7Y | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [16] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EGHPEIGDAI42 ARLKEVLEYN52 AIGGKYNRGL62 TVVVAFRELV 72 EPRKQDADSL82 QRAWTVGWCV92 ELLQAFFLVA102 DDIMDSSLTR112 RGQICWYQKP 122 GVGLDAINDA132 NLLEACIYRL142 LKLYCREQPY152 YLNLIELFLQ162 SSYQTEIGQT 172 LDLLTAPNVD184 LVRFTEKRYK194 SIVKYKTAFY204 SFYLPIAAAM214 YMAGIDGEKE 224 HANAKKILLE234 MGEFFQIQDD244 YLDLFGDPSV254 TGKIGTDIQD264 NKCSWLVVQC 274 LQRATPEQYQ284 ILKENYGQKE294 AEKVARVKAL304 YEELDLPAVF314 LQYEEDSYSH 324 IMALIEQYAA334 PLPPAVFLGL344 ARKIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KFA or .KFA2 or .KFA3 or :3KFA;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:344 or .F:346 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-(3-fluorophenyl)ethyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | PDB:6N82 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [16] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEMGHPE37 IGDAIARLKE47 VLEYNAIGGK57 YNRGLTVVVA 67 FRELVEPRKQ77 DADSLQRAWT87 VGWCVELLQA97 FFLVADDIMD107 SSLTRRGQIC 117 WYQKPGVGLD127 AINDANLLEA137 CIYRLLKLYC147 REQPYYLNLI157 ELFLQSSYQT 167 EIGQTLDLLT177 APNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YF7 or .YF72 or .YF73 or :3YF7;style chemicals stick;color identity;select .F:10 or .F:56 or .F:57 or .F:59 or .F:60 or .F:63 or .F:113 or .F:205 or .F:206 or .F:239 or .F:242 or .F:243 or .F:246 or .F:255 or .F:257 or .F:315 or .F:318 or .F:319 or .F:322 or .F:326 or .F:342 or .F:344 or .F:345 or .F:346 or .F:347 or .F:348 or .F:349 or .F:350; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
4.055
GLY56
4.945
LYS57
3.294
ASN59
3.369
ARG60
4.030
THR63
4.029
ARG113
4.981
SER205
3.277
PHE206
3.554
PHE239
3.705
GLN242
4.431
ASP243
3.509
LEU246
3.916
THR255
3.306
|
|||||
| Ligand Name: [({5-[4-(Propan-2-Yloxy)phenyl]pyridin-3-Yl}amino)methanediyl]bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with [({5-[4-(propan-2-yloxy)phenyl]pyridin-3-yl}amino)methanediyl]bis(phosphonic acid) | PDB:4PVY | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [14] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JD1 or .JD12 or .JD13 or :3JD1;style chemicals stick;color identity;select .F:98 or .F:99 or .F:100 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:112 or .F:167 or .F:168 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261 or .F:266; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
3.828
PHE99
3.269
LEU100
4.680
ALA102
3.745
ASP103
2.986
ASP104
4.440
MET106
3.847
ASP107
2.841
ARG112
2.835
THR167
3.510
GLU168
3.687
GLN171
3.380
|
|||||
| Ligand Name: 4-Amino-1-hydroxybutane-1,1-diyldiphosphonate | Ligand Info | |||||
| Structure Description | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | PDB:4KQU | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | Yes | [17] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AHD or .AHD2 or .AHD3 or :3AHD;style chemicals stick;color identity;select .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:171 or .A:174 or .A:200 or .A:201 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [({4-[4-(Cyclopropyloxy)phenyl]pyridin-2-Yl}amino)methanediyl]bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | PDB:4PVX | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [14] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YS1 or .YS12 or .YS13 or :3YS1;style chemicals stick;color identity;select .F:98 or .F:99 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:112 or .F:167 or .F:168 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
4.068
PHE99
3.363
ALA102
3.388
ASP103
2.948
ASP104
4.490
MET106
3.595
ASP107
2.804
ARG112
2.697
THR167
3.512
GLU168
3.868
GLN171
3.172
|
|||||
| Ligand Name: [(1R)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-78 | PDB:6OAH | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [16] |
| PDB Sequence |
SDVYAQEKQD
16 FVQHFSQIVR26 VLTEEMGHPE37 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M2V or .M2V2 or .M2V3 or :3M2V;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:312 or .F:315 or .F:316 or .F:318 or .F:319 or .F:322 or .F:344 or .F:346 or .F:347 or .F:348 or .F:349 or .F:350; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
4.392
LYS57
4.410
ASN59
3.171
ARG60
3.595
THR63
3.981
SER205
3.164
PHE206
3.670
PHE239
3.481
GLN242
3.261
LEU246
4.661
ALA312
3.262
|
|||||
| Ligand Name: ({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methyl)phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with CL03093 | PDB:4LPH | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [18] |
| 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 IY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YL3 or .YL32 or .YL33 or :3YL3;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:209 or .F:239 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [(1S)-1-{[6-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02-82 | PDB:6OAG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [16] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .M2Y or .M2Y2 or .M2Y3 or :3M2Y;style chemicals stick;color identity;select .F:10 or .F:56 or .F:57 or .F:59 or .F:60 or .F:63 or .F:113 or .F:205 or .F:206 or .F:239 or .F:242 or .F:243 or .F:246 or .F:255 or .F:315 or .F:318 or .F:319 or .F:322 or .F:326 or .F:342 or .F:344 or .F:345 or .F:346 or .F:347 or .F:348 or .F:349 or .F:350; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
4.286
GLY56
4.556
LYS57
3.059
ASN59
3.190
ARG60
4.169
THR63
4.104
ARG113
4.880
SER205
3.271
PHE206
3.520
PHE239
3.516
GLN242
4.193
ASP243
3.026
LEU246
4.418
THR255
3.853
|
|||||
| Ligand Name: {[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-5-Yl]methyl}phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor MIT-01-055 | PDB:5JV2 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [19] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EPEIGDAIAR44 LKEVLEYNAI54 GGKYNRGLTV64 VVAFRELVPR 75 KQDADSLQRA85 WTVGWCVELL95 QAFFLVADDI105 MDSSLTRRGQ115 ICWYQKPGVG 125 LDAINDANLL135 EACIYRLLKL145 YCREQPYYLN155 LIELFLQSSY165 QTEIGQTLDL 175 LTAPQGNVDL185 VRFTEKRYKS195 IVKYKTAFYS205 FYLPIAAAMY215 MAGIDGEKEH 225 ANAKKILLEM235 GEFFQIQDDY245 LDLFGDPKIG259 TDIQDNKCSW269 LVVQCLQRAT 279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE319 DSYSHIMALI 329 EQYAAPLPPA339 VFLGLARKIY349 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6O3 or .6O32 or .6O33 or :36O3;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:318 or .F:322 or .F:326 or .F:342 or .F:344 or .F:345 or .F:346 or .F:347 or .F:349; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with CL01131 | PDB:4LPG | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [18] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEEMGHPEI38 GDAIARLKEV48 LEYNAIGGKY58 NRGLTVVVAF 68 RELVEPRKQD78 ADSLQRAWTV88 GWCVELLQAF98 FLVADDIMDS108 SLTRRGQICW 118 YQKPGVGLDA128 INDANLLEAC138 IYRLLKLYCR148 EQPYYLNLIE158 LFLQSSYQTE 168 IGQTLDLLTA178 PQGNVDLVRF188 TEKRYKSIVK198 YKTAFYSFYL208 PIAAAMYMAG 218 IDGEKEHANA228 KKILLEMGEF238 FQIQDDYLDL248 FGDPSVTGKI258 GTDIQDNKCS 268 WLVVQCLQRA278 TPEQYQILKE288 NYGQKEAEKV298 ARVKALYEEL308 DLPAVFLQYE 318 EDSYSHIMAL328 IEQYAAPLPP338 AVFLGLARKI348 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1MV or .1MV2 or .1MV3 or :31MV;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:209 or .F:239 or .F:243 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: [(1r)-2-(3-Fluorophenyl)-1-{[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}ethyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038 | PDB:5JV0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [19] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEMGHPE37 IGDAIARLKE47 VLEYNAIGGK57 YNRGLTVVVA 67 FRELVEPRKQ77 DADSLQRAWT87 VGWCVELLQA97 FFLVADDIMD107 SSLTRRGQIC 117 WYQKPGVGLD127 AINDANLLEA137 CIYRLLKLYC147 REQPYYLNLI157 ELFLQSSYQT 167 EIGQTLDLLT177 APNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
|
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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 .YL5 or .YL52 or .YL53 or :3YL5;style chemicals stick;color identity;select .F:10 or .F:59 or .F:60 or .F:63 or .F:69 or .F:70 or .F:71 or .F:72 or .F:73 or .F:74 or .F:76 or .F:77 or .F:205 or .F:206 or .F:209 or .F:217 or .F:219 or .F:239 or .F:242 or .F:246 or .F:254 or .F:255 or .F:315 or .F:318 or .F:319 or .F:322 or .F:326 or .F:335 or .F:336 or .F:337 or .F:342 or .F:344 or .F:345 or .F:346 or .F:347 or .F:348 or .F:349 or .F:350; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
4.662
ASN59
3.245
ARG60
3.943
THR63
3.566
ARG69
3.475
GLU70
3.659
LEU71
2.835
VAL72
3.270
GLU73
2.452
PRO74
3.882
LYS76
2.840
GLN77
4.591
SER205
3.274
PHE206
3.659
PRO209
4.956
ALA217
3.318
ILE219
3.698
PHE239
3.523
GLN242
3.208
|
|||||
| Ligand Name: [(R)-(2,3-Dihydro-1-Benzofuran-5-Yl){[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methyl]phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-06-057 | PDB:5JUZ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [19] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EHPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 PRKQDADSLQ83 RAWTVGWCVE93 LLQAFFLVAD103 DIMDSSLTRR113 GQICWYQKPG 123 VGLDAINDAN133 LLEACIYRLL143 KLYCREQPYY153 LNLIELFLQS163 SYQTEIGQTL 173 DLLTAPQNVD184 LVRFTEKRYK194 SIVKYKTAFY204 SFYLPIAAAM214 YMAGIDGEKE 224 HANAKKILLE234 MGEFFQIQDD244 YLDLFGDPSV254 TGKIGTDIQD264 NKCSWLVVQC 274 LQRATPEQYQ284 ILKENYGQKE294 AEKVARVKAL304 YEELDLPAVF314 LQYEEDSYSH 324 IMALIEQYAA334 PLPPAVFLGL344 ARKIYK
|
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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 .YL4 or .YL42 or .YL43 or :3YL4;style chemicals stick;color identity;select .F:10 or .F:55 or .F:56 or .F:57 or .F:59 or .F:60 or .F:63 or .F:113 or .F:205 or .F:206 or .F:239 or .F:243 or .F:255 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: ({[6-(4-Cyclopropylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methanediyl)bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with magnesium, CL02134, and inorganic pyrophosphate | PDB:4L2X | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [20] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YL2 or .YL22 or .YL23 or :3YL2;style chemicals stick;color identity;select .F:98 or .F:99 or .F:100 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:112 or .F:167 or .F:168 or .F:171 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
3.960
PHE99
3.055
LEU100
4.195
ALA102
4.159
ASP103
2.590
ASP104
4.414
MET106
4.711
ASP107
2.765
ARG112
2.329
THR167
3.660
GLU168
3.560
|
|||||
| Ligand Name: [(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | PDB:6N7Z | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [16] |
| PDB Sequence |
AQEKQDFVQH
20 FSQIVRVLTE30 GHPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 PRKQDADSLQ83 RAWTVGWCVE93 LLQAFFLVAD103 DIMDSSLTRR113 GQICWYQKPG 123 VGLDAINDAN133 LLEACIYRLL143 KLYCREQPYY153 LNLIELFLQS163 SYQTEIGQTL 173 DLLTAPQNVD184 LVRFTEKRYK194 SIVKYKTAFY204 SFYLPIAAAM214 YMAGIDGEKE 224 HANAKKILLE234 MGEFFQIQDD244 YLDLFGDPSV254 TGKIGTDIQD264 NKCSWLVVQC 274 LQRATPEQYQ284 ILKENYGQKE294 AEKVARVKAL304 YEELDLPAVF314 LQYEEDSYSH 324 IMALIEQYAA334 PLPPAVFLGL344 ARKIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KF7 or .KF72 or .KF73 or :3KF7;style chemicals stick;color identity;select .F:56 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:243 or .F:246 or .F:255 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [[(2~{s})-2-[[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino]-3-Phenyl-Propanoyl]amino]phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an allosteric inhibitor AM-02-072 | PDB:5KSX | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [19] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 TEGHPEIGDA41 IARLKEVLEY51 NAIGGKYNRG61 LTVVVAFREL 71 VEPRKQDADS81 LQRAWTVGWC91 VELLQAFFLV101 ADDIMDSSLT111 RRGQICWYQK 121 PGVGLDAIND131 ANLLEACIYR141 LLKLYCREQP151 YYLNLIELFL161 QSSYQTEIGQ 171 TLDLLTAPQN182 VDLVRFTEKR192 YKSIVKYKTA202 FYSFYLPIAA212 AMYMAGIDGE 222 KEHANAKKIL232 LEMGEFFQIQ242 DDYLDLFGDP252 SVTGKIGTDI262 QDNKCSWLVV 272 QCLQRATPEQ282 YQILKENYGQ292 KEAEKVARVK302 ALYEELDLPA312 VFLQYEEDSY 322 SHIMALIEQY332 AAPLPPAVFL342 GLARKIYKR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7AM or .7AM2 or .7AM3 or :37AM;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:315 or .F:318 or .F:319 or .F:322 or .F:326 or .F:342 or .F:344 or .F:345 or .F:346 or .F:347 or .F:348 or .F:349 or .F:350 or .F:351; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS57
2.751
ASN59
3.102
ARG60
4.040
THR63
4.177
SER205
3.302
PHE206
3.718
PHE239
3.815
GLN242
4.177
LEU246
4.181
LEU315
4.269
GLU318
3.386
GLU319
3.701
|
|||||
| Ligand Name: 3-Fluoro-1-(2-Hydroxy-2,2-Diphosphonoethyl)pyridinium | Ligand Info | |||||
| Structure Description | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-461 | PDB:2OPM | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
EKQDFVQHFS
36 QIVRVLTEDE46 HPEIGDAIAR58 LKEVLEYNAI68 GGKYNRGLTV78 VVAFRELVEP 88 RKQDADSLQR98 AWTVGWCVEL108 LQAFFLVADD118 IMDSSLTRRG128 QICWYQKPGV 138 GLDAINDANL148 LEACIYRLLK158 LYCREQPYYL168 NLIELFLQSS178 YQTEIGQTLD 188 LLTAPQGNVD198 LVRFTEKRYK208 SIVKYKTAFY218 SFYLPIAAAM228 YMAGIDGEKE 238 HANAKKILLE248 MGEFFQIQDD258 YLDLFGDPSV268 TGKIGTDIQD278 NKCSWLVVQC 288 LQRATPEQYQ298 ILKENYGQKE308 AEKVARVKAL318 YEELDLPAVF328 LQYEEDSYSH 338 IMALIEQYAA348 PLPPAVFLGL358 ARKIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NI9 or .NI92 or .NI93 or :3NI9;style chemicals stick;color identity;select .A:113 or .A:114 or .A:117 or .A:121 or .A:126 or .A:181 or .A:185 or .A:188 or .A:214 or .A:215 or .A:218 or .A:254 or .A:257 or .A:261 or .A:271 or .A:275 or .A:280; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [2-(Dimethyl-Lambda~4~-Sulfanyl)-1-Hydroxyethane-1,1-Diyl]bis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Human Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-527 | PDB:2OPN | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [22] |
| PDB Sequence |
EKQDFVQHFS
36 QIVRVLTEDE46 HPEIGDAIAR58 LKEVLEYNAI68 GGKYNRGLTV78 VVAFRELVEP 88 RKQDADSLQR98 AWTVGWCVEL108 LQAFFLVADD118 IMDSSLTRRG128 QICWYQKPGV 138 GLDAINDANL148 LEACIYRLLK158 LYCREQPYYL168 NLIELFLQSS178 YQTEIGQTLD 188 LLTAPQGNVD198 LVRFTEKRYK208 SIVKYKTAFY218 SFYLPIAAAM228 YMAGIDGEKE 238 HANAKKILLE248 MGEFFQIQDD258 YLDLFGDPSV268 TGKIGTDIQD278 NKCSWLVVQC 288 LQRATPEQYQ298 ILKENYGQKE308 AEKVARVKAL318 YEELDLPAVF328 LQYEEDSYSH 338 IMALIEQYAA348 PLPPAVFLGL358 ARKIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SUF or .SUF2 or .SUF3 or :3SUF;style chemicals stick;color identity;select .A:114 or .A:117 or .A:121 or .A:126 or .A:181 or .A:188 or .A:214 or .A:215 or .A:218 or .A:254 or .A:257 or .A:271 or .A:275; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Deuterium Oxide | Ligand Info | |||||
| Structure Description | Neutron crystal structure of human farnesyl pyrophosphate synthase in complex with risedronate | PDB:5CG5 | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [3] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DOD or .DOD2 or .DOD3 or :3DOD;style chemicals stick;color identity;select .A:8 or .A:9 or .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:27 or .A:28 or .A:29 or .A:31 or .A:40 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:47 or .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:65 or .A:66 or .A:68 or .A:69 or .A:70 or .A:80 or .A:81 or .A:82 or .A:84 or .A:86 or .A:90 or .A:92 or .A:93 or .A:94 or .A:95 or .A:96 or .A:97 or .A:98 or .A:99 or .A:100 or .A:101 or .A:102 or .A:103 or .A:104 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:121 or .A:122 or .A:123 or .A:124 or .A:125 or .A:126 or .A:127 or .A:128 or .A:129 or .A:130 or .A:131 or .A:132 or .A:133 or .A:134 or .A:136 or .A:137 or .A:138 or .A:139 or .A:140 or .A:141 or .A:143 or .A:144 or .A:146 or .A:147 or .A:150 or .A:151 or .A:152 or .A:153 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:159 or .A:160 or .A:161 or .A:162 or .A:163 or .A:164 or .A:165 or .A:166 or .A:167 or .A:168 or .A:171 or .A:173 or .A:174 or .A:175 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:188 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:207 or .A:208 or .A:215 or .A:216 or .A:220 or .A:221 or .A:222 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231 or .A:233 or .A:234 or .A:236 or .A:237 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:244 or .A:245 or .A:246 or .A:247 or .A:248 or .A:249 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:285 or .A:289 or .A:290 or .A:291 or .A:292 or .A:293 or .A:294 or .A:295 or .A:296 or .A:297 or .A:298 or .A:299 or .A:300 or .A:301 or .A:303 or .A:304 or .A:305 or .A:307 or .A:329 or .A:330 or .A:331 or .A:332 or .A:333 or .A:334 or .A:335 or .A:336 or .A:338 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:346 or .A:347; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP8
3.256
VAL9
2.649
TYR10
3.448
ALA11
2.269
GLN12
2.780
GLU13
2.453
LYS14
3.259
GLN15
2.305
ASP16
2.822
PHE17
3.710
VAL27
4.694
LEU28
2.516
THR29
4.420
ASP31
2.510
ASP40
2.839
ILE42
3.470
ALA43
2.680
ARG44
2.140
LEU45
3.113
LYS46
2.966
GLU47
2.805
VAL48
4.902
GLU50
3.064
TYR51
2.532
ASN52
1.994
ALA53
2.822
ILE54
2.230
GLY55
3.389
GLY56
2.368
LYS57
2.843
TYR58
2.346
ASN59
2.363
ARG60
2.060
GLY61
2.968
VAL65
2.668
VAL66
3.136
PHE68
3.776
ARG69
3.998
GLU70
1.809
ASP80
4.263
SER81
3.029
LEU82
4.496
ARG84
1.728
TRP86
2.154
TRP90
4.901
VAL92
4.953
GLU93
1.854
LEU94
4.580
LEU95
3.370
GLN96
2.187
ALA97
2.765
PHE98
3.496
PHE99
2.154
LEU100
3.386
VAL101
2.205
ALA102
2.461
ASP103
2.733
ASP104
1.775
ILE105
2.323
MET106
2.869
ASP107
2.040
SER108
2.433
SER109
1.820
LEU110
2.110
THR111
1.986
ARG112
2.292
ARG113
1.960
GLY114
2.887
GLN115
2.182
ILE116
3.582
CYS117
2.722
TRP118
2.254
TYR119
2.312
GLN120
2.037
LYS121
4.297
PRO122
4.293
GLY123
1.827
VAL124
1.980
GLY125
2.783
LEU126
2.058
ASP127
1.768
ALA128
4.022
ILE129
2.964
ASN130
1.851
ASP131
2.564
ALA132
2.780
ASN133
1.935
LEU134
3.191
GLU136
2.418
ALA137
2.035
CYS138
4.178
ILE139
4.326
TYR140
1.931
ARG141
2.103
LEU143
3.938
LYS144
2.537
TYR146
2.820
CYS147
4.824
GLN150
2.966
PRO151
2.246
TYR152
1.966
TYR153
2.641
LEU154
2.176
ASN155
2.044
LEU156
4.397
ILE157
3.477
GLU158
2.589
LEU159
2.844
PHE160
3.913
LEU161
2.844
GLN162
2.468
SER163
2.031
SER164
1.932
TYR165
4.024
GLN166
1.968
THR167
2.009
GLU168
1.671
GLN171
1.645
LEU173
3.414
ASP174
1.854
LEU175
2.949
LEU176
4.920
THR177
2.457
ALA178
2.281
PRO179
3.431
GLN180
2.538
GLY181
2.294
ASN182
4.374
VAL183
4.862
PHE188
3.105
THR189
2.778
GLU190
2.032
LYS191
2.511
ARG192
2.246
TYR193
2.912
LYS194
1.981
SER195
2.455
ILE196
2.858
VAL197
2.667
LYS198
2.547
TYR199
1.862
LYS200
2.171
THR201
2.734
ALA202
3.117
PHE203
2.493
TYR204
2.053
SER205
3.583
TYR207
2.771
LEU208
3.858
TYR215
2.070
MET216
3.566
ASP220
3.017
GLY221
4.410
GLU222
3.827
GLU224
4.325
HIS225
3.887
ALA226
2.783
ASN227
3.596
ALA228
3.412
LYS229
3.136
LYS230
2.767
ILE231
3.792
LEU233
2.254
GLU234
3.831
GLY236
4.392
GLU237
1.923
PHE238
4.832
PHE239
2.323
GLN240
1.864
GLN242
2.202
ASP243
1.956
ASP244
1.841
TYR245
3.794
LEU246
2.741
ASP247
1.832
LEU248
2.549
PHE249
4.798
GLY250
2.782
ASP251
1.985
PRO252
2.700
SER253
2.678
VAL254
3.311
THR255
1.895
GLY256
2.713
LYS257
2.359
ILE258
1.857
GLY259
2.218
THR260
1.879
ASP261
1.755
ILE262
2.427
GLN263
1.900
ASP264
2.300
ASN265
2.910
LYS266
2.223
CYS267
2.059
SER268
1.959
TRP269
4.604
LEU270
2.370
VAL271
3.001
VAL272
2.643
GLN273
4.932
LEU275
2.857
GLN276
1.980
ILE285
3.175
ASN289
2.497
TYR290
2.116
GLY291
2.655
GLN292
2.000
LYS293
2.614
GLU294
3.723
ALA295
2.716
GLU296
2.782
LYS297
3.894
VAL298
3.055
ALA299
2.872
ARG300
2.790
VAL301
4.509
ALA303
3.191
LEU304
3.352
TYR305
2.022
GLU307
4.930
ILE329
3.569
GLU330
2.841
GLN331
3.773
TYR332
2.948
ALA333
2.849
ALA334
2.218
PRO335
4.721
LEU336
3.131
PRO338
4.735
ALA339
2.059
VAL340
3.175
PHE341
2.891
LEU342
4.730
GLY343
2.665
LEU344
4.501
ARG346
2.848
LYS347
3.275
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human FPPS complex with FBS_04 and zoledronic acid/MG2+ | PDB:3N45 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3N3 or .3N32 or .3N33 or :33N3;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-(Naphthalen-1-Yl)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with compound 13 | PDB:5DGN | ||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [23] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .59Y or .59Y2 or .59Y3 or :359Y;style chemicals stick;color identity;select .F:10 or .F:57 or .F:58 or .F:59 or .F:60 or .F:63 or .F:96 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(Naphthalen-1-Ylmethoxy)benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with salicylic acid derivative 3a | PDB:5DIQ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [23] |
| 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 IYKRR
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5B9 or .5B92 or .5B93 or :35B9;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:243 or .F:257 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Tianafac | Ligand Info | |||||
| Structure Description | Human FPPS COMPLEX WITH FBS_01 | PDB:3N1V | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3N1 or .3N12 or .3N13 or :33N1;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:96 or .F:205 or .F:206 or .F:239 or .F:315 or .F:318 or .F:319 or .F:322 or .F:344 or .F:347 or .F:348 or .F:349; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(Carboxymethyl)-4,7-dichloro-1H-indole-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human fpps complex with NOV_304 | PDB:3N5H | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GO0 or .GO02 or .GO03 or :3GO0;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:108 or .F:109 or .F:110 or .F:111 or .F:205 or .F:206 or .F:239 or .F:258 or .F:259 or .F:260 or .F:263 or .F:264 or .F:293 or .F:344 or .F:347 or .F:348 or .F:350; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
3.430
LYS57
3.877
ASN59
2.773
ARG60
3.273
THR63
3.860
SER108
4.737
SER109
3.644
LEU110
2.805
THR111
2.797
SER205
3.368
PHE206
3.574
|
|||||
| Ligand Name: 1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human FPPS complex with NOV_823 | PDB:3N6K | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [4] |
| PDB Sequence |
YAQEKQDFVQ
19 HFSQIVRVLT29 EDEMGHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BFH or .BFH2 or .BFH3 or :3BFH;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 8-(Naphthalen-1-Yl)-6-(1h-Pyrrol-2-Yl)quinoline-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with biaryl compound 8e | PDB:5DJV | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [23] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BL or .5BL2 or .5BL3 or :35BL;style chemicals stick;color identity;select .F:10 or .F:56 or .F:57 or .F:58 or .F:59 or .F:60 or .F:63 or .F:96 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:257 or .F:344 or .F:347 or .F:348 or .F:349 or .F:350; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human FPPS complex with NOV_980 and zoledronic acid/MG2+ | PDB:3N46 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3N5 or .3N52 or .3N53 or :33N5;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:254 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-(Carboxymethyl)-5,7-dichloro-1H-indole-2-carboxylic acid | Ligand Info | |||||
| Structure Description | Human fpps complex with NOV_311 | PDB:3N5J | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GO1 or .GO12 or .GO13 or :3GO1;style chemicals stick;color identity;select .F:57 or .F:59 or .F:60 or .F:63 or .F:96 or .F:107 or .F:108 or .F:109 or .F:110 or .F:111 or .F:205 or .F:206 or .F:239 or .F:257 or .F:258 or .F:260 or .F:263 or .F:264 or .F:293 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS57
3.360
ASN59
2.939
ARG60
3.237
THR63
4.765
GLN96
4.434
ASP107
4.347
SER108
4.177
SER109
3.610
LEU110
2.662
THR111
2.516
SER205
2.951
|
|||||
| Ligand Name: 1h,1'h-4,4'-Biindole-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with biaryl compound 6 | PDB:5DJR | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [23] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 TEDEMGHPEI38 GDAIARLKEV48 LEYNAIGGKY58 NRGLTVVVAF 68 RELVEPRKQD78 ADSLQRAWTV88 GWCVELLQAF98 FLVADDIMDS108 SLTRRGQICW 118 YQKPGVGLDA128 INDANLLEAC138 IYRLLKLYCR148 EQPYYLNLIE158 LFLQSSYQTE 168 IGQTLDLLTA178 PQGNVDLVRF188 TEKRYKSIVK198 YKTAFYSFYL208 PIAAAMYMAG 218 IDGEKEHANA228 KKILLEMGEF238 FQIQDDYLDL248 FGDPSVTGKI258 GTDIQDNKCS 268 WLVVQCLQRA278 TPEQYQILKE288 NYGQKEAEKV298 ARVKALYEEL308 DLPAVFLQYE 318 EDSYSHIMAL328 IEQYAAPLPP338 AVFLGLARKI348 YK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BK or .5BK2 or .5BK3 or :35BK;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Naphthalen-1-Yl)-1h-Indole-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with biaryl compound 5 | PDB:5DJP | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [23] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5BJ or .5BJ2 or .5BJ3 or :35BJ;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Naphtho[2,1-b]thiophen-1-ylacetic acid | Ligand Info | |||||
| Structure Description | Human FPPS COMPLEX WITH NOV_292 | PDB:3N49 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3N4 or .3N42 or .3N43 or :33N4;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Chlorobenzo[b]thiophene-3-acetic acid | Ligand Info | |||||
| Structure Description | Human FPPS COMPLEX WITH FBS_02 | PDB:3N1W | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | No | [4] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3N2 or .3N22 or .3N23 or :33N2;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: {(E)-2-[6-(Acetylamino)-8-(Naphthalen-1-Yl)quinolin-2-Yl]ethenyl}phosphonic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with the monophosphonate compound 15 | PDB:5DGS | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | No | [24] |
| 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
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5A7 or .5A72 or .5A73 or :35A7;style chemicals stick;color identity;select .F:10 or .F:56 or .F:57 or .F:58 or .F:59 or .F:60 or .F:63 or .F:93 or .F:96 or .F:113 or .F:205 or .F:206 or .F:239 or .F:242 or .F:246 or .F:257 or .F:344 or .F:347 or .F:348 or .F:349 or .F:350; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR10
3.422
GLY56
3.138
LYS57
2.786
TYR58
3.117
ASN59
2.810
ARG60
3.458
THR63
3.654
GLU93
4.420
GLN96
3.684
ARG113
2.774
SER205
3.517
|
|||||
| Ligand Name: 2-(6-Methoxy-1-benzofuran-3-yl)acetic acid | Ligand Info | |||||
| Structure Description | Human FPPS complex with FBS_03 | PDB:3N3L | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [4] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MS0 or .MS02 or .MS03 or :3MS0;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:209 or .F:239 or .F:315 or .F:318 or .F:319 or .F:322 or .F:344 or .F:347 or .F:348 or .F:349 or .F:350; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: {2-[(Phosphonomethyl)carbamoyl]-1h-Benzo[g]indol-1-Yl}acetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with monophosphonate compound 7 | PDB:5DGM | ||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [24] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .59Z or .59Z2 or .59Z3 or :359Z;style chemicals stick;color identity;select .F:10 or .F:57 or .F:59 or .F:60 or .F:63 or .F:205 or .F:206 or .F:239 or .F:344 or .F:347 or .F:348; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 6,7-Dihydro-5h-Cyclopenta[b]pyridine-6,6-Diylbis(Phosphonic Acid) | Ligand Info | |||||
| Structure Description | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate | PDB:3S4J | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [25] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEDEHPEIG39 DAIARLKEVL49 EYNAIGGKYN59 RGLTVVVAFR 69 ELVEPRKQDA79 DSLQRAWTVG89 WCVELLQAFF99 LVADDIMDSS109 LTRRGQICWY 119 QKPGVGLDAI129 NDANLLEACI139 YRLLKLYCRE149 QPYYLNLIEL159 FLQSSYQTEI 169 GQTLDLLTAP179 QGNVDLVRFT189 EKRYKSIVKY199 KTAFYSFYLP209 IAAAMYMAGI 219 DGEKEHANAK229 KILLEMGEFF239 QIQDDYLDLF249 GDPSVTGKIG259 TDIQDNKCSW 269 LVVQCLQRAT279 PEQYQILKEN289 YGQKEAEKVA299 RVKALYEELD309 LPAVFLQYEE 319 DSYSHIMALI329 EQYAAPLPPA339 VFLGLARKIY349
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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 .UNV or .UNV2 or .UNV3 or :3UNV;style chemicals stick;color identity;select .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [[(4-Hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human FPPS in complex with an inhibitor THZ93 | PDB:5YGI | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [26] |
| PDB Sequence |
DVYAQEKQDF
17 VQHFSQIVRV27 LTEHPEIGDA41 IARLKEVLEY51 NAIGGKYNRG61 LTVVVAFREL 71 VEPRKQDADS81 LQRAWTVGWC91 VELLQAFFLV101 ADDIMDSSLT111 RRGQICWYQK 121 PGVGLDAIND131 ANLLEACIYR141 LLKLYCREQP151 YYLNLIELFL161 QSSYQTEIGQ 171 TLDLLTAPQG181 NVDLVRFTEK191 RYKSIVKYKT201 AFYSFYLPIA211 AAMYMAGIDG 221 EKEHANAKKI231 LLEMGEFFQI241 QDDYLDLFGD251 PSVTGKIGTD261 IQDNKCSWLV 271 VQCLQRATPE281 QYQILKENYG291 QKEAEKVARV301 KALYEELDLP311 AVFLQYEEDS 321 YSHIMALIEQ331 YAAPLPPAVF341 LGLARKIY
|
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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 .T93 or .T932 or .T933 or :3T93;style chemicals stick;color identity;select .A:98 or .A:99 or .A:100 or .A:102 or .A:103 or .A:104 or .A:106 or .A:107 or .A:112 or .A:167 or .A:168 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
2.841
PHE99
2.684
LEU100
3.399
ALA102
3.284
ASP103
2.597
ASP104
4.401
MET106
2.812
ASP107
2.897
ARG112
2.701
THR167
4.219
GLU168
3.131
|
|||||
| Ligand Name: N,N'-Bis[3-(4,5-Dihydro-1h-Imidazol-2-Yl)phenyl]biphenyl-4,4'-Dicarboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 | PDB:4RXA | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [27] |
| PDB Sequence |
QEKQDFVQHF
21 SQIVRVLTED31 EMGHPEIGDA41 IARLKEVLEY51 NAIGGKYNRG61 LTVVVAFREL 71 VPRKQDADSL82 QRAWTVGWCV92 ELLQAFFLVA102 DDIMDSSLTR112 RGQICWYQKP 122 GVGLDAINDA132 NLLEACIYRL142 LKLYCREQPY152 YLNLIELFLQ162 SSYQTEIGQT 172 LDLLTAPQNV183 DLVRFTEKRY193 KSIVKYKTAF203 YSFYLPIAAA213 MYMAGIDGEK 223 EHANAKKILL233 EMGEFFQIQD243 DYLDLFGDPS253 VTGKIGTDIQ263 DNKCSWLVVQ 273 CLQRATPEQY283 QIKENYGQVA299 VKALYEELDL310 PAVFLQYEED320 SYSHIMALIE 330 QYAAPLPPAV340 FLGLARKIYK350
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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 .3F2 or .3F22 or .3F23 or :33F2;style chemicals stick;color identity;select .A:14 or .A:57 or .A:59 or .A:60 or .A:62 or .A:63 or .A:66 or .A:67 or .A:70 or .A:96 or .A:239 or .A:242 or .A:243 or .A:246 or .A:255 or .A:339 or .A:340 or .A:343 or .A:344 or .A:347; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Hydrogen [(1s)-1-Hydroxy-2-(3-Octyl-1h-Imidazol-3-Ium-1-Yl)-1-Phosphonoethyl]phosphonate | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222 | PDB:4N1Z | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [28] |
| PDB Sequence |
VYAQEKQDFV
18 QHFSQIVRVL28 THPEIGDAIA43 RLKEVLEYNA53 IGGKYNRGLT63 VVVAFRELVE 73 PRKQDADSLQ83 RAWTVGWCVE93 LLQAFFLVAD103 DIMDSSLTRR113 GQICWYQKPG 123 VGLDAINDAN133 LLEACIYRLL143 KLYCREQPYY153 LNLIELFLQS163 SYQTEIGQTL 173 DLLTAPQGNL185 VRFTEKRYKS195 IVKYKTAFYS205 FYLPIAAAMY215 MAGIDGEKEH 225 ANAKKILLEM235 GEFFQIQDDY245 LDLFGDPSVT255 GKIGTDIQDN265 KCSWLVVQCL 275 QRATPEQYQI285 LKENYGQKEA295 EKVARVKALY305 EELDLPAVFL315 QYEEDSYSHI 325 MALIEQYAAP335 LPPAVFLGLA345 RKI
|
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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 .N1Z or .N1Z2 or .N1Z3 or :3N1Z;style chemicals stick;color identity;select .F:98 or .F:99 or .F:100 or .F:102 or .F:103 or .F:104 or .F:106 or .F:107 or .F:112 or .F:167 or .F:168 or .F:171 or .F:174 or .F:200 or .F:201 or .F:204 or .F:240 or .F:243 or .F:244 or .F:247 or .F:257 or .F:261; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE98
3.902
PHE99
3.439
LEU100
4.038
ALA102
4.015
ASP103
2.094
ASP104
4.471
MET106
4.145
ASP107
2.385
ARG112
2.805
THR167
4.377
GLU168
3.625
|
|||||
| Ligand Name: 1-Butyl-3-(2-Hydroxy-2,2-Diphosphonoethyl)-1h-Imidazol-3-Ium | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | PDB:4GA3 | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [29] |
| 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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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4GA or .4GA2 or .4GA3 or :34GA;style chemicals stick;color identity;select .A:99 or .A:100 or .A:103 or .A:104 or .A:107 or .A:112 or .A:167 or .A:171 or .A:174 or .A:200 or .A:201 or .A:204 or .A:240 or .A:243 or .A:244 or .A:247 or .A:257 or .A:261 or .A:266; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{[(1s,2r,4as,8ar)-1,2,4a-Trimethyl-5-Methylidenedecahydronaphthalen-1-Yl]methyl}cyclohexa-2,5-Diene-1,4-Dione | Ligand Info | |||||
| Structure Description | Human farnesyl diphosphate synthase in complex with Arenarone and zoledronate | PDB:4P0W | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [30] |
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1XH or .1XH2 or .1XH3 or :31XH;style chemicals stick;color identity;select .A:17 or .A:53 or .A:55 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:89 or .A:90 or .A:92 or .A:93 or .A:96 or .A:100 or .A:112 or .A:113 or .A:204 or .A:205 or .A:239 or .A:243 or .A:257; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE17
4.615
ALA53
4.654
GLY55
4.870
GLY56
3.014
LYS57
3.279
TYR58
3.426
ASN59
3.541
ARG60
2.978
GLY61
3.221
GLY89
4.977
TRP90
4.086
|
|||||
| Ligand Name: Taxodione | Ligand Info | |||||
| Structure Description | Crystal structure of human farnesyl diphosphoate synthase in complex with zoledronate and taxodione | PDB:4P0V | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [30] |
| 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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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1WO or .1WO2 or .1WO3 or :31WO;style chemicals stick;color identity;select .A:53 or .A:55 or .A:56 or .A:57 or .A:58 or .A:59 or .A:60 or .A:93 or .A:96 or .A:100 or .A:112 or .A:113 or .A:204 or .A:239 or .A:243 or .A:255 or .A:257 or .A:351 or .A:353; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate | ||||
| REF 2 | Human farnesyl diphosphate synthase complexed with MG and minodronate. | ||||
| REF 3 | Protonation State and Hydration of Bisphosphonate Bound to Farnesyl Pyrophosphate Synthase. J Med Chem. 2015 Sep 24;58(18):7549-56. | ||||
| REF 4 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. Nat Chem Biol. 2010 Sep;6(9):660-6. | ||||
| REF 5 | Structural basis for the exceptional in vivo efficacy of bisphosphonate drugs. ChemMedChem. 2006 Feb;1(2):267-73. | ||||
| REF 6 | The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates | ||||
| REF 7 | Design and synthesis of active site inhibitors of the human farnesyl pyrophosphate synthase: apoptosis and inhibition of ERK phosphorylation in multiple myeloma cells. J Med Chem. 2012 Apr 12;55(7):3201-15 | ||||
| REF 8 | Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product. Nat Commun. 2017 Jan 18;8:14132. | ||||
| REF 9 | Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure. BMC Struct Biol. 2012 Dec 12;12:32. | ||||
| REF 10 | Human FDPS Synthase in Complex with a N-Methyl Pyridinum Bisphosphonate | ||||
| REF 11 | Human FDPS synthase in complex with novel inhibitor | ||||
| REF 12 | Human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor. | ||||
| REF 13 | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | ||||
| REF 14 | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase. PLoS One. 2017 Oct 16;12(10):e0186447. | ||||
| REF 15 | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. Bioorg Med Chem Lett. 2015 Mar 1;25(5):1117-23. | ||||
| REF 16 | Chirality-Driven Mode of Binding of Alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS). J Med Chem. 2019 Nov 14;62(21):9691-9702. | ||||
| REF 17 | Crystal Structure of Farnesyl Synthase Mutant (Y204A) Complexed with Mg, Alendronate and Isopentenyl Pyrophosphate | ||||
| REF 18 | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases. J Med Chem. 2014 Jul 10;57(13):5764-76. | ||||
| REF 19 | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J Med Chem. 2017 Mar 9;60(5):2119-2134. | ||||
| REF 20 | Thienopyrimidine bisphosphonate (ThPBP) inhibitors of the human farnesyl pyrophosphate synthase: optimization and characterization of the mode of inhibition. J Med Chem. 2013 Oct 24;56(20):7939-50. | ||||
| REF 21 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J Am Chem Soc. 2009 Apr 15;131(14):5153-62. | ||||
| REF 22 | Bisphosphonates: Teaching Old Drugs with New Tricks | ||||
| REF 23 | Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding. ChemMedChem. 2015 Nov;10(11):1884-91. | ||||
| REF 24 | A General Strategy for Targeting Drugs to Bone. Angew Chem Int Ed Engl. 2015 Nov 23;54(48):14575-9. | ||||
| REF 25 | Human FDPS Synthase in Complex with a Rigid Analog of Risedronate | ||||
| REF 26 | The Mevalonate Pathway Is a Druggable Target for Vaccine Adjuvant Discovery. Cell. 2018 Nov 1;175(4):1059-1073.e21. | ||||
| REF 27 | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries. ACS Med Chem Lett. 2015 Jan 29;6(3):349-54. | ||||
| REF 28 | A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin. Sci Transl Med. 2014 Nov 19;6(263):263ra161. | ||||
| REF 29 | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS Med Chem Lett. 2013 Apr 11;4(4):423-427. | ||||
| REF 30 | 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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