Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T23787 | Target Info | |||
| Target Name | Renal carcinoma antigen NY-REN-56 (PFKFB3) | ||||
| Synonyms | iPFK2; Renal carcinoma antigen NYREN56; PFKFB3; Fructose2,6bisphosphatase; 6phosphofructo2kinase/fructose2,6bisphosphatase 3; 6PF2K/Fru2,6P2ase brain/placentatype isozyme; 6PF2K/Fru2,6P2ase 3 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PFKFB3 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | beta-D-Fructose 6-phosphate | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O | ||||
| InChI | 1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1 | ||||
| InChIKey | BGWGXPAPYGQALX-ARQDHWQXSA-N | ||||
| PubChem Compound ID | 440641 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6HVI Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 2 | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [1] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVHRNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV63 PTKVFNVGEY 73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL113 AKEGGQIAVF 123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN163 IMEVKISSPD 173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK213 VIDVGRRFLV 223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR263 IGGDSGLSSR 273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP313 YEQWKALNEI 323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ363 DLVQRLEPVI 373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL413 HTVLKLTPVA 423 YGCRVESIYL433 NVESVCTHRE443 RSE
|
|||||
|
|
ARG252
4.124
HIS253
4.918
ASN259
3.876
ARG263
4.500
ILE264
3.333
GLY265
2.874
GLU322
2.536
ILE323
4.270
ALA325
4.993
TYR333
2.512
ARG347
2.942
|
|||||
| PDB ID: 5AK0 Human PFKFB3 in complex with an indole inhibitor 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [2] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCGPNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV 63 PTKVFNVGEY73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL 113 AKEGGQIAVF123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN 163 IMEVKISSPD173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK 213 VIDVGRRFLV223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR 263 IGGDSGLSSR273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP 313 YEQWKALNEI323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ 363 DLVQRLEPVI373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL 413 HTVLKLTPVA423 YGCRVESIYL433 NVESVCTHRE443 RS
|
|||||
|
|
||||||
| PDB ID: 2AXN Crystal structure of the human inducible form 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [3] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPRSCGPNSP34 TVIVMVGLPA44 RGKTYISKKL54 TRYLNWIGVP 64 TKVFNVGEYR74 REAVKQYSSY84 NFFRPDNEEA94 MKVRKQCALA104 ALRDVKSYLA 114 KEGGQIAVFD124 ATNTTRERRH134 MILHFAKEND144 FKAFFIESVC154 DDPTVVASNI 164 MEVKISSPDY174 KDCNSAEAMD184 DFMKRISCYE194 ASYQPLDPDK204 CDRDLSLIKV 214 IDVGRRFLVN224 RVQDHIQSRI234 VYYLMNIHVQ244 PRTIYLCRHG254 ENEHNLQGRI 264 GGDSGLSSRG274 KKFASALSKF284 VEEQNLKDLR294 VWTSQLKSTI304 QTAEALRLPY 314 EQWKALNEID324 AGVCEELTYE334 EIRDTYPEEY344 ALREQDKYYY354 RYPTGESYQD 364 LVQRLEPVIM374 ELERQENVLV384 ICHQAVLRCL394 LAYFLDKSAE404 EMPYLKCPLH 414 TVLKLTPVAY424 GCRVESIYLN434 VESVCTHRER444 SNPLMRRNSS731 S |
|||||
|
|
ARG252
3.143
ASN259
3.794
ARG263
4.801
ILE264
3.302
GLY265
2.679
GLU322
2.601
ILE323
4.172
ALA325
4.904
TYR333
2.939
ARG347
2.535
|
|||||
| PDB ID: 4MA4 S-glutathionylated PFKFB3 | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [4] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPNSPTVIVM39 VGLPARGKTY49 ISKKLTRYLN59 WIGVPTKVFN 69 VGEYRREAVK79 QYSSYNFFRP89 DNEEAMKVRK99 QCALAALRDV109 KSYLAKEGGQ 119 IAVFDATNTT129 RERRHMILHF139 AKENDFKAFF149 IESVCDDPTV159 VASNIMEVKI 169 SSPDYKDCNS179 AEAMDDFMKR189 ISCYEASYQP199 LDPDKCDRDL209 SLIKVIDVGR 219 RFLVNRVQDH229 IQSRIVYYLM239 NIHVQPRTIY249 LCRHGENEHN259 LQGRIGGDSG 269 LSSRGKKFAS279 ALSKFVEEQN289 LKDLRVWTSQ299 LKSTIQTAEA309 LRLPYEQWKA 319 LNEIDAGVCE329 ELTYEEIRDT339 YPEEYALREQ349 DKYYYRYPTG359 ESYQDLVQRL 369 EPVIMELERQ379 ENVLVICHQA389 VLRCLLAYFL399 DKSAEEMPYL409 KCPLHTVLKL 419 TPVAYGCRVE429 SIYLNVESVC439 THRERSNPLM456 RRNS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2DWO PFKFB3 in complex with ADP and PEP | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [5] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPRSCGPNSP34 TVIVMVGLPA44 RGKTYISKKL54 TRYLNWIGVP 64 TKVFNVGEYR74 REAVKQYSSY84 NFFRPDNEEA94 MKVRKQCALA104 ALRDVKSYLA 114 KEGGQIAVFD124 ATNTTRERRH134 MILHFAKEND144 FKAFFIESVC154 DDPTVVASNI 164 MEVKISSPDY174 KDCNSAEAMD184 DFMKRISCYE194 ASYQPLDPDK204 CDRDLSLIKV 214 IDVGRRFLVN224 RVQDHIQSRI234 VYYLMNIHVQ244 PRTIYLCRHG254 ENEHNLQGRI 264 GGDSGLSSRG274 KKFASALSKF284 VEEQNLKDLR294 VWTSQLKSTI304 QTAEALRLPY 314 EQWKALNEID324 AGVCEELTYE334 EIRDTYPEEY344 ALREQDKYYY354 RYPTGESYQD 364 LVQRLEPVIM374 ELERQENVLV384 ICHQAVLRCL394 LAYFLDKSAE404 EMPYLKCPLH 414 TVLKLTPVAY424 GCRVESIYLN434 VESVCTHRER444 SNPLMRRNS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
3.166
HIS253
4.920
ASN259
3.957
ARG263
4.717
ILE264
3.330
GLY265
2.861
GLU322
2.701
ILE323
4.133
ALA325
4.948
TYR333
3.039
ARG347
2.467
|
|||||
| PDB ID: 6HVJ Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [1] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVHNSPTV36 IVMVGLPARG46 KTYISKKLTR56 YLNWIGVPTK66 VFNVGEYRRE 76 AVKQYSSYNF86 FRPDNEEAMK96 VRKQCALAAL106 RDVKSYLAKE116 GGQIAVFDAT 126 NTTRERRHMI136 LHFAKENDFK146 AFFIESVCDD156 PTVVASNIME166 VKISSPDYKD 176 CNSAEAMDDF186 MKRISCYEAS196 YQPLDPDKCD206 RDLSLIKVID216 VGRRFLVNRV 226 QDHIQSRIVY236 YLMNIHVQPR246 TIYLCRHGEN256 EHNLQGRIGG266 DSGLSSRGKK 276 FASALSKFVE286 EQNLKDLRVW296 TSQLKSTIQT306 AEALRLPYEQ316 WKALNEIDAG 326 VCEELTYEEI336 RDTYPEEYAL346 REQDKYYYRY356 PTGESYQDLV366 QRLEPVIMEL 376 ERQENVLVIC386 HQAVLRCLLA396 YFLDKSAEEM406 PYLKCPLHTV416 LKLTPVAYGC 426 RVESIYLNVE436 SVCTHRERSE446
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5AJZ Human PFKFB3 in complex with an indole inhibitor 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [2] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPRSCGNSPT35 VIVMVGLPAR45 GKTYISKKLT55 RYLNWIGVPT 65 KVFNVGEYRR75 EAVKQYSSYN85 FFRPDNEEAM95 KVRKQCALAA105 LRDVKSYLAK 115 EGGQIAVFDA125 TNTTRERRHM135 ILHFAKENDF145 KAFFIESVCD155 DPTVVASNIM 165 EVKISSPDYK175 DCNSAEAMDD185 FMKRISCYEA195 SYQPLDPDKC205 DRDLSLIKVI 215 DVGRRFLVNR225 VQDHIQSRIV235 YYLMNIHVQP245 RTIYLCRHGE255 NEHNLQGRIG 265 GDSGLSSRGK275 KFASALSKFV285 EEQNLKDLRV295 WTSQLKSTIQ305 TAEALRLPYE 315 QWKALNEIDA325 GVCEELTYEE335 IRDTYPEEYA345 LREQDKYYYR355 YPTGESYQDL 365 VQRLEPVIME375 LERQENVLVI385 CHQAVLRCLL395 AYFLDKSAEE405 MPYLKCPLHT 415 VLKLTPVAYG425 CRVESIYLNV435 ESVCTHRERS445
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
4.147
ASN259
3.952
ARG263
4.484
ILE264
3.311
GLY265
2.905
GLU322
2.520
ILE323
4.048
ALA325
4.996
TYR333
2.570
ARG347
2.826
|
|||||
| PDB ID: 6HVH Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [1] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHNSPT35 VIVMVGLPAR45 GKTYISKKLT55 RYLNWIGVPT65 KVFNVGEYRR 75 EAVKQYSSYN85 FFRPDNEEAM95 KVRKQCALAA105 LRDVKSYLAK115 EGGQIAVFDA 125 TNTTRERRHM135 ILHFAKENDF145 KAFFIESVCD155 DPTVVASNIM165 EVKISSPDYK 175 DCNSAEAMDD185 FMKRISCYEA195 SYQPLDPDKC205 DRDLSLIKVI215 DVGRRFLVNR 225 VQDHIQSRIV235 YYLMNIHVQP245 RTIYLCRHGE255 NEHNLQGRIG265 GDSGLSSRGK 275 KFASALSKFV285 EEQNLKDLRV295 WTSQLKSTIQ305 TAEALRLPYE315 QWKALNEIDA 325 GVCEELTYEE335 IRDTYPEEYA345 LREQDKYYYR355 YPTGESYQDL365 VQRLEPVIME 375 LERQENVLVI385 CHQAVLRCLL395 AYFLDKSAEE405 MPYLKCPLHT415 VLKLTPVAYG 425 CRVESIYLNV435 ESVCTHRERS445 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
4.033
HIS253
4.807
ASN259
4.111
ARG263
4.673
ILE264
3.248
GLY265
2.979
GLU322
2.487
ILE323
4.216
ALA325
4.995
TYR333
2.644
|
|||||
| PDB ID: 5AJY Human PFKFB3 in complex with an indole inhibitor 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.37 Å | Mutation | No | [2] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCNSPT35 VIVMVGLPAR45 GKTYISKKLT55 RYLNWIGVPT 65 KVFNVGEYRR75 EAVKQYSSYN85 FFRPDNEEAM95 KVRKQCALAA105 LRDVKSYLAK 115 EGGQIAVFDA125 TNTTRERRHM135 ILHFAKENDF145 KAFFIESVCD155 DPTVVASNIM 165 EVKISSPDYK175 DCNSAEAMDD185 FMKRISCYEA195 SYQPLDPDKC205 DRDLSLIKVI 215 DVGRRFLVNR225 VQDHIQSRIV235 YYLMNIHVQP245 RTIYLCRHGE255 NEHNLQGRIG 265 GDSGLSSRGK275 KFASALSKFV285 EEQNLKDLRV295 WTSQLKSTIQ305 TAEALRLPYE 315 QWKALNEIDA325 GVCEELTYEE335 IRDTYPEEYA345 LREQDKYYYR355 YPTGESYQDL 365 VQRLEPVIME375 LERQENVLVI385 CHQAVLRCLL395 AYFLDKSAEE405 MPYLKCPLHT 415 VLKLTPVAYG425 CRVESIYLNV435 ESVCTHRER
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2I1V Crystal structure of PFKFB3 in complex with ADP and Fructose-2,6-bisphosphate | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
LELTQSRVQK
11 IWVPVDHRPS21 LPRSCGPNSP34 TVIVMVGLPA44 RGKTYISKKL54 TRYLNWIGVP 64 TKVFNVGEYR74 REAVKQYSSY84 NFFRPDNEEA94 MKVRKQCALA104 ALRDVKSYLA 114 KEGGQIAVFD124 ATNTTRERRH134 MILHFAKEND144 FKAFFIESVC154 DDPTVVASNI 164 MEVKISSPDY174 KDCNSAEAMD184 DFMKRISCYE194 ASYQPLDPDK204 CDRDLSLIKV 214 IDVGRRFLVN224 RVQDHIQSRI234 VYYLMNIHVQ244 PRTIYLCRHG254 ENEHNLQGRI 264 GGDSGLSSRG274 KKFASALSKF284 VEEQNLKDLR294 VWTSQLKSTI304 QTAEALRLPY 314 EQWKALNEID324 AGVCEELTYE334 EIRDTYPEEY344 ALREQDKYYY354 RYPTGESYQD 364 LVQRLEPVIM374 ELERQENVLV384 ICHQAVLRCL394 LAYFLDKSAE404 EMPYLKCPLH 414 TVLKLTPVAY424 GCRVESIYLN434 VESVCTHRER444 SNPLMRRNS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .B:252 or .B:259 or .B:263 or .B:264 or .B:265 or .B:322 or .B:323 or .B:325 or .B:333 or .B:347 or .B:351 or .B:356 or .B:362 or .B:387 or .B:388 or .B:389 or .B:392 or .B:407 or .B:440 or .B:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
4.232
ASN259
4.487
ARG263
4.627
ILE264
3.299
GLY265
2.795
GLU322
2.545
ILE323
4.244
ALA325
4.758
TYR333
2.980
ARG347
2.501
|
|||||
| PDB ID: 3QPV PFKFB3 trapped in a phospho-enzyme intermediate state | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [6] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHRPNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV63 PTKVFNVGEY 73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL113 AKEGGQIAVF 123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN163 IMEVKISSPD 173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK213 VIDVGRRFLV 223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR263 IGGDSGLSSR 273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP313 YEQWKALNEI 323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ363 DLVQRLEPVI 373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL413 HTVLKLTPVA 423 YGCRVESIYL433 NVESVCTHRE443 RSENPLMRRN459
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5AJW Human PFKFB3 in complex with an indole inhibitor 2 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSNSPTV36 IVMVGLPARG46 KTYISKKLTR56 YLNWIGVPTK 66 VFNVGEYRRE76 AVKQYSSYNF86 FRPDNEEAMK96 VRKQCALAAL106 RDVKSYLAKE 116 GGQIAVFDAT126 NTTRERRHMI136 LHFAKENDFK146 AFFIESVCDD156 PTVVASNIME 166 VKISSPDYKD176 CNSAEAMDDF186 MKRISCYEAS196 YQPLDPDKCD206 RDLSLIKVID 216 VGRRFLVNRV226 QDHIQSRIVY236 YLMNIHVQPR246 TIYLCRHGEN256 EHNLQGRIGG 266 DSGLSSRGKK276 FASALSKFVE286 EQNLKDLRVW296 TSQLKSTIQT306 AEALRLPYEQ 316 WKALNEIDAG326 VCEELTYEEI336 RDTYPEEYAL346 REQDKYYYRY356 PTGESYQDLV 366 QRLEPVIMEL376 ERQENVLVIC386 HQAVLRCLLA396 YFLDKSAEEM406 PYLKCPLHTV 416 LKLTPVAYGC426 RVESIYLNVE436 SVCTHRERS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6ETJ HUMAN PFKFB3 IN COMPLEX WITH KAN0438241 | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [7] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHRPSL22 SPTVIVMVGL42 PARGKTYISK52 KLTRYLNWIG62 VPTKVFNVGE 72 YRREAVKQYS82 SYNFFRPDNE92 EAMKVRKQCA102 LAALRDVKSY112 LAKEGGQIAV 122 FDATNTTRER132 RHMILHFAKE142 NDFKAFFIES152 VCDDPTVVAS162 NIMEVKISSP 172 DYKDCNSAEA182 MDDFMKRISC192 YEASYQPLDP202 DKCDRDLSLI212 KVIDVGRRFL 222 VNRVQDHIQS232 RIVYYLMNIH242 VQPRTIYLCR252 GENEHNLQGR263 IGGDSGLSSR 273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP313 YEQWKALNEI 323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ363 DLVQRLEPVI 373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL413 HTVLKLTPVA 423 YGCRVESIYL433 NVESVCTHRE443 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5AJX Human PFKFB3 in complex with an indole inhibitor 3 | ||||||
| Method | X-ray diffraction | Resolution | 2.58 Å | Mutation | No | [2] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCGPNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV 63 PTKVFNVGEY73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL 113 AKEGGQIAVF123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN 163 IMEVKISSPD173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK 213 VIDVGRRFLV223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR 263 IGGDSGLSSR273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP 313 YEQWKALNEI323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ 363 DLVQRLEPVI373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL 413 HTVLKLTPVA423 YGCRVESIYL433 NVESVCTHRE443 R
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2DWP A pseudo substrate complex of 6-phosphofructo-2-kinase of PFKFB | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [5] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHRNSP34 TVIVMVGLPA44 RGKTYISKKL54 TRYLNWIGVP64 TKVFNVGEYR 74 REAVKQYSSY84 NFFRPDNEEA94 MKVRKQCALA104 ALRDVKSYLA114 KEGGQIAVFD 124 ATNTTRERRH134 MILHFAKEND144 FKAFFIESVC154 DDPTVVASNI164 MEVKISSPDY 174 KDCNSAEAMD184 DFMKRISCYE194 ASYQPLDPDK204 CDRDLSLIKV214 IDVGRRFLVN 224 RVQDHIQSRI234 VYYLMNIHVQ244 PRTIYLCRHG254 ENEHNLQGRI264 GGDSGLSSRG 274 KKFASALSKF284 VEEQNLKDLR294 VWTSQLKSTI304 QTAEALRLPY314 EQWKALNEID 324 AGVCEELTYE334 EIRDTYPEEY344 ALREQDKYYY354 RYPTGESYQD364 LVQRLEPVIM 374 ELERQENVLV384 ICHQAVLRCL394 LAYFLDKSAE404 EMPYLKCPLH414 TVLKLTPVAY 424 GCRVESIYLN434 VESVCTHRER444 S
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:43 or .A:70 or .A:71 or .A:74 or .A:75 or .A:87 or .A:98 or .A:125 or .A:126 or .A:127 or .A:128 or .A:132 or .A:186 or .A:189 or .A:193 or .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO43
3.256
VAL70
4.068
GLY71
3.301
ARG74
2.536
ARG75
4.712
PHE87
3.996
ARG98
3.569
ALA125
2.687
THR126
2.491
ASN127
3.769
THR128
5.000
ARG132
2.452
PHE186
4.562
ARG189
3.169
TYR193
3.016
ARG252
3.302
HIS253
4.934
ASN259
3.716
|
|||||
| PDB ID: 4D4M human PFKFB3 in complex with a pyrrolopyrimidone compound | ||||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [8] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCNSPT35 VIVMVGLPAR45 GKTYISKKLT55 RYLNWIGVPT 65 KVFNVGEYRR75 EAVKQYSSYN85 FFRPDNEEAM95 KVRKQCALAA105 LRDVKSYLAK 115 EGGQIAVFDA125 TNTTRERRHM135 ILHFAKENDF145 KAFFIESVCD155 DPTVVASNIM 165 EVKISSPDYK175 DCNSAEAMDD185 FMKRISCYEA195 SYQPLDPDKC205 DRDLSLIKVI 215 DVGRRFLVNR225 VQDHIQSRIV235 YYLMNIHVQP245 RTIYLCRHGE255 NEHNLQGRIG 265 GDSGLSSRGK275 KFASALSKFV285 EEQNLKDLRV295 WTSQLKSTIQ305 TAEALRLPYE 315 QWKALNEIDA325 GVCEELTYEE335 IRDTYPEEYA345 LREQDKYYYR355 YPTGESYQDL 365 VQRLEPVIME375 LERQENVLVI385 CHQAVLRCLL395 AYFLDKSAEE405 MPYLKCPLHT 415 VLKLTPVAYG425 CRVESIYLNV435 ESVCTHRER
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
4.233
ASN259
4.024
ARG263
4.357
ILE264
3.366
GLY265
2.952
GLU322
2.602
ILE323
4.039
ALA325
4.975
TYR333
2.645
ARG347
2.845
|
|||||
| PDB ID: 4D4J human PFKFB3 in complex with a pyrrolopyrimidone compound | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [9] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCGPNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV 63 PTKVFNVGEY73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL 113 AKEGGQIAVF123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN 163 IMEVKISSPD173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK 213 VIDVGRRFLV223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR 263 IGGDSGLSSR273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP 313 YEQWKALNEI323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ 363 DLVQRLEPVI373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL 413 HTVLKLTPVA423 YGCRVESIYL433 NVESVCTHRE443 RS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4D4L human PFKFB3 in complex with a pyrrolopyrimidone compound | ||||||
| Method | X-ray diffraction | Resolution | 3.16 Å | Mutation | No | [10] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSCGPNS33 PTVIVMVGLP43 ARGKTYISKK53 LTRYLNWIGV 63 PTKVFNVGEY73 RREAVKQYSS83 YNFFRPDNEE93 AMKVRKQCAL103 AALRDVKSYL 113 AKEGGQIAVF123 DATNTTRERR133 HMILHFAKEN143 DFKAFFIESV153 CDDPTVVASN 163 IMEVKISSPD173 YKDCNSAEAM183 DDFMKRISCY193 EASYQPLDPD203 KCDRDLSLIK 213 VIDVGRRFLV223 NRVQDHIQSR233 IVYYLMNIHV243 QPRTIYLCRH253 GENEHNLQGR 263 IGGDSGLSSR273 GKKFASALSK283 FVEEQNLKDL293 RVWTSQLKST303 IQTAEALRLP 313 YEQWKALNEI323 DAGVCEELTY333 EEIRDTYPEE343 YALREQDKYY353 YRYPTGESYQ 363 DLVQRLEPVI373 MELERQENVL383 VICHQAVLRC393 LLAYFLDKSA403 EEMPYLKCPL 413 HTVLKLTPVA423 YGCRVESIYL433 NVESVCTHRE443 RS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:325 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
3.793
ASN259
3.912
ARG263
4.469
ILE264
3.425
GLY265
2.947
GLU322
2.775
ILE323
4.005
ALA325
4.751
TYR333
2.685
ARG347
2.799
|
|||||
| PDB ID: 4D4K human PFKFB3 in complex with a pyrrolopyrimidone compound | ||||||
| Method | X-ray diffraction | Resolution | 3.24 Å | Mutation | No | [11] |
| PDB Sequence |
PLELTQSRVQ
10 KIWVPVDHRP20 SLPRSNSPTV36 IVMVGLPARG46 KTYISKKLTR56 YLNWIGVPTK 66 VFNVGEYRRE76 AVKQYSSYNF86 FRPDNEEAMK96 VRKQCALAAL106 RDVKSYLAKE 116 GGQIAVFDAT126 NTTRERRHMI136 LHFAKENDFK146 AFFIESVCDD156 PTVVASNIME 166 VKISSPDYKD176 CNSAEAMDDF186 MKRISCYEAS196 YQPLDPDKCD206 RDLSLIKVID 216 VGRRFLVNRV226 QDHIQSRIVY236 YLMNIHVQPR246 TIYLCRHGEN256 EHNLQGRIGG 266 DSGLSSRGKK276 FASALSKFVE286 EQNLKDLRVW296 TSQLKSTIQT306 AEALRLPYEQ 316 WKALNEIDAG326 VCEELTYEEI336 RDTYPEEYAL346 REQDKYYYRY356 PTGESYQDLV 366 QRLEPVIMEL376 ERQENVLVIC386 HQAVLRCLLA396 YFLDKSAEEM406 PYLKCPLHTV 416 LKLTPVAYGC426 RVESIYLNVE436 SVCTHRERS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6IBZ Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | ||||||
| Method | X-ray diffraction | Resolution | 2.44 Å | Mutation | No | [12] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVDHNSPT35 VIVMVGLPAR45 GKTYISKKLT55 RYLNWIGVPT65 KVFNVGEYRR 75 EAVKQYSSYN85 FFRPDNEEAM95 KVRKQCALAA105 LRDVKSYLAK115 EGGQIAVFDA 125 TNTTRERRHM135 ILHFAKENDF145 KAFFIESVCD155 DPTVVASNIM165 EVKISSPDYK 175 DCNSAEAMDD185 FMKRISCYEA195 SYQPLDPDKC205 DRDLSLIKVI215 DVGRRFLVNR 225 VQDHIQSRIV235 YYLMNIHVQP245 RTIYLCRHGE255 NEHNLQGRIG265 GDSGLSSRGK 275 KFASALSKFV285 EEQNLKDLRV295 WTSQLKSTIQ305 TAEALRLPYE315 QWKALNEIDA 325 GVCEELTYEE335 IRDTYPEEYA345 LREQDKYYYR355 YPTGESYQDL365 VQRLEPVIME 375 LERQENVLVI385 CHQAVLRCLL395 AYFLDKSAEE405 MPYLKCPLHT415 VLKLTPVAYG 425 CRVESIYLNV435 ESVCTHRERS445 E
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG252
4.106
HIS253
4.822
ASN259
3.907
ARG263
4.494
ILE264
3.295
GLY265
2.837
GLU322
2.571
ILE323
4.263
TYR333
2.552
ARG347
2.744
|
|||||
| PDB ID: 6IBX Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [12] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVNSPTVI37 VMVGLPARGK47 TYISKKLTRY57 LNWIGVPTKV67 FNVGEYRREA 77 VKQYSSYNFF87 RPDNEEAMKV97 RKQCALAALR107 DVKSYLAKEG117 GQIAVFDATN 127 TTRERRHMIL137 HFAKENDFKA147 FFIESVCDDP157 TVVASNIMEV167 KISSPDYKDC 177 NSAEAMDDFM187 KRISCYEASY197 QPLDPDKCDR207 DLSLIKVIDV217 GRRFLVNRVQ 227 DHIQSRIVYY237 LMNIHVQPRT247 IYLCRHGENE257 HNLQGRIGGD267 SGLSSRGKKF 277 ASALSKFVEE287 QNLKDLRVWT297 SQLKSTIQTA307 EALRLPYEQW317 KALNEIDAGV 327 CEELTYEEIR337 DTYPEEYALR347 EQDKYYYRYP357 TGESYQDLVQ367 RLEPVIMELE 377 RQENVLVICH387 QAVLRCLLAY397 FLDKSAEEMP407 YLKCPLHTVL417 KLTPVAYGCR 427 VESIYLNVES437 VCTHRERSE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6IBY Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [12] |
| PDB Sequence |
ELTQSRVQKI
12 WVPNSPTVIV38 MVGLPARGKT48 YISKKLTRYL58 NWIGVPTKVF68 NVGEYRREAV 78 KQYSSYNFFR88 PDNEEAMKVR98 KQCALAALRD108 VKSYLAKEGG118 QIAVFDATNT 128 TRERRHMILH138 FAKENDFKAF148 FIESVCDDPT158 VVASNIMEVK168 ISSPDYKDCN 178 SAEAMDDFMK188 RISCYEASYQ198 PLDPDKCDRD208 LSLIKVIDVG218 RRFLVNRVQD 228 HIQSRIVYYL238 MNIHVQPRTI248 YLCRHGENEH258 NLQGRIGGDS268 GLSSRGKKFA 278 SALSKFVEEQ288 NLKDLRVWTS298 QLKSTIQTAE308 ALRLPYEQWK318 ALNEIDAGVC 328 EELTYEEIRD338 TYPEEYALRE348 QDKYYYRYPT358 GESYQDLVQR368 LEPVIMELER 378 QENVLVICHQ388 AVLRCLLAYF398 LDKSAEEMPY408 LKCPLHTVLK418 LTPVAYGCRV 428 ESIYLNVESV438 CTHRERSE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6IC0 Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 4 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [12] |
| PDB Sequence |
ELTQSRVQKI
12 WVPVNSPTVI37 VMVGLPARGK47 TYISKKLTRY57 LNWIGVPTKV67 FNVGEYRREA 77 VKQYSSYNFF87 RPDNEEAMKV97 RKQCALAALR107 DVKSYLAKEG117 GQIAVFDATN 127 TTRERRHMIL137 HFAKENDFKA147 FFIESVCDDP157 TVVASNIMEV167 KISSPDYKDC 177 NSAEAMDDFM187 KRISCYEASY197 QPLDPDKCDR207 DLSLIKVIDV217 GRRFLVNRVQ 227 DHIQSRIVYY237 LMNIHVQPRT247 IYLCRHGENE257 HNLQGRIGGD267 SGLSSRGKKF 277 ASALSKFVEE287 QNLKDLRVWT297 SQLKSTIQTA307 EALRLPYEQW317 KALNEIDAGV 327 CEELTYEEIR337 DTYPEEYALR347 EQDKYYYRYP357 TGESYQDLVQ367 RLEPVIMELE 377 RQENVLVICH387 QAVLRCLLAY397 FLDKSAEEMP407 YLKCPLHTVL417 KLTPVAYGCR 427 VESIYLNVES437 VCTHRERS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F6P or .F6P2 or .F6P3 or :3F6P;style chemicals stick;color identity;select .A:252 or .A:253 or .A:259 or .A:263 or .A:264 or .A:265 or .A:322 or .A:323 or .A:333 or .A:347 or .A:351 or .A:356 or .A:362 or .A:387 or .A:388 or .A:389 or .A:392 or .A:407 or .A:440; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem. 2019 Jan 8;14(1):169-181. | ||||
| REF 2 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. J Med Chem. 2015 Apr 23;58(8):3611-25. | ||||
| REF 3 | Crystal structure of the hypoxia-inducible form of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (PFKFB3): a possible new target for cancer therapy. J Biol Chem. 2006 Feb 3;281(5):2939-44. | ||||
| REF 4 | PFKFB3 regulates oxidative stress homeostasis via its S-glutathionylation in cancer. J Mol Biol. 2014 Feb 20;426(4):830-42. | ||||
| REF 5 | A direct substrate-substrate interaction found in the kinase domain of the bifunctional enzyme, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase. J Mol Biol. 2007 Jun 29;370(1):14-26. | ||||
| REF 6 | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: transition state and the C-terminal function. Proteins. 2012 Apr;80(4):1143-53. | ||||
| REF 7 | Targeting PFKFB3 radiosensitizes cancer cells and suppresses homologous recombination. Nat Commun. 2018 Sep 24;9(1):3872. | ||||
| REF 8 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods | ||||
| REF 9 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods | ||||
| REF 10 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods | ||||
| REF 11 | Identifying a Novel Series of Pfkfb3 Inhibitors as a Metabolic Approach to Treating Cancer from Hts, Biophysical and Biochemical Methods | ||||
| REF 12 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg Med Chem Lett. 2019 Feb 15;29(4):646-653. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.