Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T58921 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor gamma (PPAR-gamma) | ||||
| Synonyms | PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPARG | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Indomethacin | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233 | PDB:3ADX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
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ALA278
4.525
ILE281
3.493
PHE282
3.093
CYS285
3.632
GLN286
3.984
SER289
3.015
HIS323
2.880
ILE326
3.351
TYR327
3.109
LEU330
3.923
LEU353
3.662
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Glutathione | Ligand Info | |||||
| Structure Description | Human peroxisome proliferator-activated receptor gamma ligand binding domain complexed with glutathion conjugated 15-deoxy-delta12,14-prostaglandin J2 | PDB:2ZK2 | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [2] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
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LEU228
4.365
PHE264
3.738
ILE267
3.833
THR268
4.497
ARG280
3.628
ILE281
3.078
PHE282
4.922
GLN283
4.767
GLY284
2.935
CYS285
3.473
ARG288
2.887
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| Ligand Name: Telmisartan | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma complexed with Telmisartan | PDB:3VN2 | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [3] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIQSKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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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 .TLS or .TLS2 or .TLS3 or :3TLS;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:322 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ALA278
4.626
ILE281
4.031
PHE282
2.240
CYS285
3.313
GLN286
3.794
ARG288
3.131
SER289
3.047
VAL322
4.649
HIS323
2.463
ILE326
3.737
TYR327
3.479
LEU330
3.484
VAL339
3.890
LEU340
4.805
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| Ligand Name: Imatinib | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain R288A mutant in complex with imatinib | PDB:6KTN | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HKEVAIRIFQ283 GCQFASVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
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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 .STI or .STI2 or .STI3 or :3STI;style chemicals stick;color identity;select .A:222 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:255 or .A:259 or .A:262 or .A:263 or .A:264 or .A:265 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR222
4.495
PHE226
4.054
PRO227
4.500
LEU228
2.659
THR229
3.818
LYS230
3.774
LEU255
3.984
GLU259
3.570
ILE262
3.327
LYS263
3.549
PHE264
4.840
LYS265
3.686
ARG280
4.205
ILE281
4.207
GLY284
3.600
CYS285
3.315
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| Ligand Name: Saroglitazar | Ligand Info | |||||
| Structure Description | X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization | PDB:7E0A | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | No | [5] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHKEVAI279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK 319 YGVHEIIYTM329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE 369 FAVKFNALEL379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL 419 QLKLNHPESS429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL 469 QEIYKDL
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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 .EWR or .EWR2 or .EWR3 or :3EWR;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE249
4.314
LEU255
3.534
GLU259
3.791
PHE264
2.856
HIS266
3.674
ARG280
4.203
ILE281
2.989
PHE282
2.929
GLY284
3.340
CYS285
3.055
GLN286
3.027
ARG288
3.044
SER289
2.616
HIS323
2.747
ILE326
3.581
TYR327
2.719
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| Ligand Name: Bezafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-bezafibrate co-rystals obtained by co-crystallization | PDB:7WGO | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [6] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 IKFKHITPLQ271 EQSKEVAIRI281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL 311 NDQVTLLKYG321 VHEIIYTMLA331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG 361 DFMEPKFEFA371 VKFNALELDD381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD 411 NLLQALELQL421 KLNHPESSQL431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET 461 DMSLHPLLQE471 IYKDLY
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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 .PEM or .PEM2 or .PEM3 or :3PEM;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE282
2.710
CYS285
2.963
GLN286
3.065
ARG288
3.333
SER289
2.638
ALA292
2.744
GLU295
4.638
HIS323
3.384
ILE326
3.520
TYR327
3.799
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| Ligand Name: Pemafibrate | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-pemafibrate co-crystals obtained by co-crystallization | PDB:7WGQ | ||||
| Method | X-ray diffraction | Resolution | 2.43 Å | Mutation | No | [6] |
| PDB Sequence |
HMQLNPESAD
210 LRALAKHLYD220 SYIKSFPLTK230 AKARAILTGK240 TTDKSPFVIY250 DMNSLMMGED 260 KIKFKHITPL270 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
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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 .P7F or .P7F2 or .P7F3 or :3P7F;style chemicals stick;color identity;select .A:226 or .A:228 or .A:249 or .A:255 or .A:259 or .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
4.975
LEU228
4.972
ILE249
4.212
LEU255
3.344
GLU259
3.712
PHE264
3.138
HIS266
2.908
ARG280
4.244
ILE281
3.286
PHE282
2.860
GLY284
3.579
CYS285
2.796
GLN286
2.627
ARG288
3.156
SER289
2.465
ALA292
2.952
GLU295
4.539
HIS323
2.662
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| Ligand Name: Fenofibric acid | Ligand Info | |||||
| Structure Description | X-ray structure of human PPAR gamma ligand binding domain-fenofibric acid co-crystals obtained by co-crystallization | PDB:7WGP | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | No | [6] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQEQS274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ 314 VTLLKYGVHE324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM 364 EPKFEFAVKF374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL 414 QALELQLKLN424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTSLHPL 468 LQEIYKDLY
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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 .F5A or .F5A2 or .F5A3 or :3F5A;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:249 or .A:255 or .A:259 or .A:263 or .A:264 or .A:265 or .A:266 or .A:277 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:356 or .A:360 or .A:361 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.972
PRO227
4.530
LEU228
4.756
ILE249
3.957
LEU255
2.893
GLU259
3.284
LYS263
4.371
PHE264
2.540
LYS265
3.031
HIS266
3.579
VAL277
4.917
ALA278
3.171
ARG280
3.112
ILE281
3.353
PHE282
2.705
GLY284
3.132
CYS285
3.304
GLN286
3.403
PHE287
3.507
ARG288
2.613
SER289
3.119
GLU291
3.515
ALA292
3.046
GLU295
3.436
ILE296
4.953
HIS323
2.949
ILE325
4.670
ILE326
3.009
TYR327
4.505
MET329
3.028
LEU330
3.051
LEU333
3.914
VAL339
4.222
ILE341
3.634
SER342
2.743
GLU343
3.588
MET348
2.601
LEU353
4.678
LEU356
3.832
PHE360
3.057
GLY361
4.767
PHE363
2.761
MET364
2.890
LYS367
4.788
HIS449
3.104
LEU453
3.442
LEU465
4.053
LEU469
2.887
TYR473
2.277
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| Ligand Name: Diclofenac | Ligand Info | |||||
| Structure Description | Crystal structure of V290M PPARgamma mutant in complex with diclofenac | PDB:4OJ4 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [7] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTKSPFV248 IYDMNSLMMG258 EDKIEQSKEV 277 AIRIFQGCQF287 RSMEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
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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 .DIF or .DIF2 or .DIF3 or :3DIF;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:353 or .A:363 or .A:364; 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: Eicosapentaenoic acid/docosa-hexaenoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with DHA | PDB:2VV0 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [8] |
| PDB Sequence |
ALNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKD |
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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 .HXA or .HXA2 or .HXA3 or :3HXA;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE281
4.266
GLY284
4.226
CYS285
3.718
ARG288
3.243
SER289
2.762
HIS323
2.921
ILE326
4.087
TYR327
3.576
LEU330
3.757
LEU333
4.598
VAL339
4.353
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| Ligand Name: Mifepristone | Ligand Info | |||||
| Structure Description | Revealing a steroid receptor ligand as a unique PPARgamma agonist | PDB:3QT0 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [9] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKSPFVIY250 DMNSLMMGED260 KIKFKHITPL 270 QEQSKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
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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 .486 or .4862 or .4863 or :3486;style chemicals stick;color identity;select .A:265 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS265
3.941
PHE282
4.577
GLY284
3.821
CYS285
3.480
GLN286
3.938
ARG288
3.556
SER289
3.710
ALA292
3.503
ILE326
3.494
TYR327
2.958
MET329
4.460
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| Ligand Name: Tesaglitazar | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF HUMAN PPAR-GAMMA IN COMPLEX WITH THE AGONIST AZ 242 | PDB:1I7I | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [10] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDL |
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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 .AZ2 or .AZ22 or .AZ23 or :3AZ2;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ARG280
3.989
ILE281
3.747
PHE282
3.567
GLY284
3.204
CYS285
3.558
GLN286
3.703
ARG288
4.348
SER289
2.817
HIS323
2.784
ILE326
4.071
TYR327
3.834
LEU330
3.913
|
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| Ligand Name: Resveratrol | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and trans-resveratrol | PDB:4JAZ | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | No | [11] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
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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 .STL or .STL2 or .STL3 or :3STL;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:266 or .A:267 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:330 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CPL-7075 | Ligand Info | |||||
| Structure Description | Ajulemic acid, a synthetic cannabinoid bound to PPAR gamma | PDB:2OM9 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [12] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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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 .AJA or .AJA2 or .AJA3 or :3AJA;style chemicals stick;color identity;select .A:249 or .A:255 or .A:264 or .A:265 or .A:266 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:290 or .A:330 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:466 or .A:467 or .A:468 or .A:471; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.928
LEU255
4.103
PHE264
2.729
LYS265
2.721
HIS266
3.435
ALA278
4.400
ARG280
4.387
ILE281
3.837
PHE282
3.853
GLY284
3.913
CYS285
3.519
ARG288
3.390
VAL290
3.261
LEU330
4.348
|
|||||
| Ligand Name: Ragaglitazar | Ligand Info | |||||
| Structure Description | Ligand binding domain of the human peroxisome proliferator activated receptor gamma in complex with an agonist | PDB:1NYX | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [13] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476
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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 .DRF or .DRF2 or .DRF3 or :3DRF;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE281
3.471
PHE282
3.162
GLY284
3.997
CYS285
2.888
GLN286
3.481
ARG288
3.687
SER289
3.263
HIS323
2.575
ILE326
3.623
TYR327
3.923
LEU330
2.983
LEU333
4.543
VAL339
4.560
|
|||||
| Ligand Name: Rivoglitazone | Ligand Info | |||||
| Structure Description | X-ray Crystal Structure of the PPARgamma Ligand Binding Domain in Complex with Rivoglitazone | PDB:5U5L | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [14] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDL |
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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 .7VA or .7VA2 or .7VA3 or :37VA;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:364 or .A:449 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
3.976
ILE281
3.818
PHE282
3.088
GLY284
3.926
CYS285
3.355
GLN286
3.252
ARG288
4.077
SER289
2.938
HIS323
2.916
ILE326
3.989
TYR327
3.480
|
|||||
| Ligand Name: Farglitazar | Ligand Info | |||||
| Structure Description | THE 2.1 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF THE HETERODIMER OF THE HUMAN RXRALPHA AND PPARGAMMA LIGAND BINDING DOMAINS RESPECTIVELY BOUND WITH 9-CIS RETINOIC ACID AND GI262570 AND CO-ACTIVATOR PEPTIDES. | PDB:1FM9 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [15] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLQEQSK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
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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 .570 or .5702 or .5703 or :3570;style chemicals stick;color identity;select .D:255 or .D:278 or .D:280 or .D:281 or .D:282 or .D:284 or .D:285 or .D:286 or .D:288 or .D:289 or .D:323 or .D:326 or .D:327 or .D:330 or .D:339 or .D:340 or .D:341 or .D:342 or .D:348 or .D:353 or .D:356 or .D:360 or .D:363 or .D:364 or .D:449 or .D:453 or .D:456 or .D:465 or .D:469 or .D:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU255
4.311
ALA278
4.996
ARG280
3.672
ILE281
3.784
PHE282
3.294
GLY284
3.611
CYS285
3.350
GLN286
2.890
ARG288
4.304
SER289
2.865
HIS323
2.508
ILE326
3.777
TYR327
3.479
LEU330
3.355
VAL339
4.351
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: IVA337 | Ligand Info | |||||
| Structure Description | Structure of human PPAR gamma LBD in complex with Lanifibranor (IVA337) | PDB:6ENQ | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [16] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKD |
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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 .BJB or .BJB2 or .BJB3 or :3BJB;style chemicals stick;color identity;select .A:228 or .A:281 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU228
3.640
ILE281
3.948
GLY284
3.825
CYS285
2.532
GLN286
3.905
ARG288
3.156
SER289
2.504
ILE326
3.847
TYR327
3.272
LEU330
3.217
LEU333
3.318
|
|||||
| Ligand Name: Mitoglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone | PDB:6O67 | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LO7 or .LO72 or .LO73 or :3LO7;style chemicals stick;color identity;select .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:339 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: INT131 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARg in complex with INT131 | PDB:3FUR | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [18] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDLY |
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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 .Z12 or .Z122 or .Z123 or :3Z12;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
3.778
ILE281
3.706
PHE282
3.566
GLY284
3.640
CYS285
3.618
GLN286
4.330
ARG288
3.192
SER289
3.828
ILE326
4.928
TYR327
2.748
LEU330
3.605
VAL339
3.848
|
|||||
| Ligand Name: Betulinic acid | Ligand Info | |||||
| Structure Description | PPARgamma complex with the betulinic acid | PDB:5LSG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [19] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
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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 .QZQ or .QZQ2 or .QZQ3 or :3QZQ;style chemicals stick;color identity;select .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:334 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE282
3.413
GLY284
4.241
CYS285
2.811
GLN286
3.384
ARG288
3.325
SER289
2.697
HIS323
2.746
ILE326
3.086
TYR327
2.341
LEU330
3.341
LEU333
4.874
MET334
4.791
|
|||||
| Ligand Name: GW-409544 | Ligand Info | |||||
| Structure Description | The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides. | PDB:1K74 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [20] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLQEQSK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .544 or .5442 or .5443 or :3544;style chemicals stick;color identity;select .D:261 or .D:269 or .D:278 or .D:280 or .D:281 or .D:282 or .D:284 or .D:285 or .D:286 or .D:288 or .D:289 or .D:323 or .D:326 or .D:327 or .D:330 or .D:339 or .D:340 or .D:341 or .D:342 or .D:348 or .D:353 or .D:356 or .D:360 or .D:363 or .D:364 or .D:449 or .D:453 or .D:465 or .D:469 or .D:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS261
3.855
PRO269
4.255
ALA278
4.863
ARG280
3.190
ILE281
3.531
PHE282
3.673
GLY284
4.096
CYS285
3.339
GLN286
3.847
ARG288
4.137
SER289
2.870
HIS323
2.745
ILE326
4.138
TYR327
3.768
LEU330
3.461
|
|||||
| Ligand Name: Ciglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone | PDB:6O68 | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LO4 or .LO42 or .LO43 or :3LO4;style chemicals stick;color identity;select .A:264 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: Indeglitazar | Ligand Info | |||||
| Structure Description | Structure of PPARgamma with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid | PDB:3ET3 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [21] |
| PDB Sequence |
MESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET1 or .ET12 or .ET13 or :3ET1;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:340 or .A:341 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA278
4.412
ILE281
3.564
PHE282
3.355
CYS285
3.602
GLN286
3.975
ARG288
3.290
SER289
3.139
HIS323
3.013
ILE326
4.022
TYR327
3.309
LEU330
3.784
LEU340
4.439
|
|||||
| Ligand Name: 3-(5-methoxy-1H-indol-3-yl)propanoic acid | Ligand Info | |||||
| Structure Description | Structure of PPARgamma with 3-(5-Methoxy-1H-indol-3-yl)-propionic acid | PDB:3ET0 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
MESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKEV 277 AIRIFQGQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKDLY |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ET0 or .ET02 or .ET03 or :3ET0;style chemicals stick;color identity;select .A:281 or .A:282 or .A:286 or .A:289 or .A:323 or .A:327 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | PDB:6K0T | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [22] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKE 276 VAIRIFQGQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CME or .CME2 or .CME3 or :3CME;style chemicals stick;color identity;select .A:262 or .A:281 or .A:282 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:289 or .A:341 or .A:348; 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: Serotonin | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with serotonin | PDB:3ADV | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
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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 .SRO or .SRO2 or .SRO3 or :3SRO;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:285 or .A:288 or .A:289 or .A:295 or .A:323 or .A:326 or .A:327 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:353 or .A:364 or .A:367 or .A:449; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.976
PRO227
3.322
LEU228
2.728
THR229
4.502
LYS230
4.750
CYS285
3.330
ARG288
3.179
SER289
3.204
GLU295
3.278
HIS323
4.442
ILE326
3.555
TYR327
2.800
MET329
3.446
|
|||||
| Ligand Name: 5-hydroxy-1H-indole-3-acetic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-hydroxy-indole acetate | PDB:3ADT | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDEV 277 AIRIFQGCQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDL |
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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 .HID or .HID2 or .HID3 or :3HID;style chemicals stick;color identity;select .A:222 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:295 or .A:323 or .A:326 or .A:327 or .A:328 or .A:329 or .A:330 or .A:332 or .A:333 or .A:343 or .A:363 or .A:364 or .A:367 or .A:381 or .A:384 or .A:449 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR222
3.235
PHE226
4.006
PRO227
2.812
LEU228
3.036
THR229
3.501
LYS230
3.197
PHE282
4.706
CYS285
3.649
GLN286
3.123
ARG288
3.220
SER289
2.773
GLU295
3.542
HIS323
3.339
ILE326
3.833
TYR327
2.753
|
|||||
| Ligand Name: (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPAR-gamma and the agonist LT248 (clofibric acid analogue) | PDB:3CDS | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [23] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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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 .GRR or .GRR2 or .GRR3 or :3GRR;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR-gamma LBD complexed with a partial agonist, analogue of clofibric acid | PDB:3CDP | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [24] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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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 .YRG or .YRG2 or .YRG3 or :3YRG;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Myristic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with S35 | PDB:5GTO | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [25] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLKEVAIR280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY 320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF 370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ 420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ 470 EIYKDLY
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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 .MYR or .MYR2 or .MYR3 or :3MYR;style chemicals stick;color identity;select .A:222 or .A:226 or .A:228 or .A:229 or .A:230 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:332 or .A:333 or .A:364 or .A:449; 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: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | PPARg LBD bound to SR10171 | PDB:6C5Q | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [26] |
| PDB Sequence |
HHHGSHMESA
209 DLRALAKHLY219 DSYIKSFPLT229 KAKARAILTG239 KTTDKSPFVI249 YDMNSLMMGE 259 DKIKFKHITP269 LQEQSKEVAI279 RIFQGQFRSV290 EAVQEITEYA300 KSIPGFVNLD 310 LNDQVTLLKY320 GVHEIIYTML330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF 360 GDFMEPKFEF370 AVKFNALELD380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ 410 DNLLQALELQ420 LKLNHPESSQ430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE 460 TDMSLHPLLQ470 EIYKDLY
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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 .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:281 or .A:282 or .A:283 or .A:284 or .A:286 or .A:287 or .A:288 or .A:289 or .A:363 or .A:364; 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: GW1929 | Ligand Info | |||||
| Structure Description | PPAR mutant | PDB:6T1S | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [27] |
| PDB Sequence |
MQLNPESADL
239 RALAKHLYDS249 YIKSFPLTKA259 KARAILTTTD271 KSPFVIYDMN281 SLMMGEDKIK 291 FKHITPLQEQ301 SKEVAIRISQ311 GCQFRSVEAV321 QEITEYAKSI331 PGFVNLDLND 341 QVTLLKYGVH351 EIIYTMLASL361 MNKDGVLISE371 GQGFMTREFL381 KSLRKPFGDF 391 MEPKFEFAVK401 FNALELDDSD411 LAIFIAVIIL421 SGDRPGLLNV431 KPIEDIQDNL 441 LQALELQLKL451 NHPESSQLFA461 KLLQKMTDLR471 QIVTEHVQLL481 QVIKKTETDM 491 SLHPLLQEIY501 KDLY
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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 .EDK or .EDK2 or .EDK3 or :3EDK;style chemicals stick;color identity;select .A:290 or .A:291 or .A:306 or .A:308 or .A:309 or .A:310 or .A:311 or .A:312 or .A:313 or .A:314 or .A:316 or .A:317 or .A:351 or .A:354 or .A:355 or .A:358 or .A:362 or .A:367 or .A:368 or .A:369 or .A:370 or .A:376 or .A:381 or .A:384 or .A:388 or .A:389 or .A:391 or .A:392 or .A:395 or .A:477 or .A:481 or .A:484 or .A:491 or .A:493 or .A:494 or .A:497 or .A:501; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE290
2.431
LYS291
4.352
ALA306
4.430
ARG308
4.879
ILE309
2.545
SER310
2.403
GLN311
4.910
GLY312
2.536
CYS313
2.384
GLN314
2.688
ARG316
2.689
SER317
1.813
HIS351
2.206
ILE354
3.195
TYR355
2.064
LEU358
2.504
MET362
4.533
VAL367
2.758
LEU368
3.743
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tributylstannanyl | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with tributyltin | PDB:3WJ4 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [28] |
| PDB Sequence |
GSESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKKSPF247 VIYDMNSLMM257 GEDKISKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYK |
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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 .TBY or .TBY2 or .TBY3 or :3TBY;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 9-hydroxyoctadecadienoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 9-(S)-HODE | PDB:2VSR | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [8] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKEVA 278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL318 KYGVHEIIYT 328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF368 EFAVKFNALE 378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE418 LQLKLNHPES 428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL468 LQEIYKD |
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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 .9HO or .9HO2 or .9HO3 or :39HO;style chemicals stick;color identity;select .A:226 or .A:227 or .A:228 or .A:229 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:292 or .A:295 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.266
PRO227
2.855
LEU228
2.854
THR229
4.856
ILE281
3.554
PHE282
4.081
GLY284
4.006
CYS285
3.265
GLN286
4.656
ARG288
2.814
SER289
2.785
GLU291
3.915
ALA292
4.982
GLU295
3.010
HIS323
3.069
ILE325
4.847
ILE326
3.001
TYR327
4.242
MET329
3.287
|
|||||
| Ligand Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid | Ligand Info | |||||
| Structure Description | hPPARgamma Ligand binding domain in complex with 13-(S)-HODE | PDB:2VST | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [8] |
| PDB Sequence |
LNPESADLRA
213 LAKHLYDSYI223 KSFPLTKAKA233 RAILTGKTTD243 KSPFVIYDMN253 SLMMGEDKIK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475
|
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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 .243 or .2432 or .2433 or :3243;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:288 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: T0070907 | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907 | PDB:6ONI | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [29] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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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 .EEY or .EEY2 or .EEY3 or :3EEY;style chemicals stick;color identity;select .B:281 or .B:282 or .B:285 or .B:286 or .B:323 or .B:327 or .B:363 or .B:364 or .B:367 or .B:446 or .B:449 or .B:452 or .B:473 or .B:474 or .B:476 or .B:477; 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: Oleic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid | PDB:6MD0 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTDKSPFV248 IYDMNSLMMG258 EDKIKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
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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 .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.163
PHE282
4.449
GLY284
4.003
CYS285
3.186
GLN286
3.516
ARG288
4.326
SER289
2.966
HIS323
3.209
ILE326
4.391
TYR327
4.088
LEU330
3.809
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Arachidonic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic Acid | PDB:6MCZ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGTDKSPFV248 IYDMNSLMMG258 EDKIKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
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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 .ACD or .ACD2 or .ACD3 or :3ACD;style chemicals stick;color identity;select .A:228 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
3.630
ILE281
4.917
PHE282
4.879
GLY284
4.106
CYS285
3.214
GLN286
4.540
ARG288
3.302
SER289
2.780
HIS323
2.974
ILE326
4.840
TYR327
4.453
LEU330
4.126
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex of F360L PPARgamma mutant with the ligand LT175 | PDB:4L98 | ||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | Yes | [31] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIEVAIRIFQ283 GCQFRSVEAV 293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL333 MNKDGVLISE 343 GQGFMTREFL353 KSLRKPLGDF363 MEPKFEFAVK373 FNALELDDSD383 LAIFIAVIIL 393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA433 KLLQKMTDLR 443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 KDLY
|
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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 .LRG or .LRG2 or .LRG3 or :3LRG;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:464 or .A:465 or .A:466 or .A:467 or .A:470; 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: nTzDpa | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma bound to partial agonist nTZDpa | PDB:2Q5S | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [32] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDLY |
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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 .NZA or .NZA2 or .NZA3 or :3NZA;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.242
LEU255
3.702
GLU259
4.257
ARG280
4.535
ILE281
3.456
GLY284
3.477
CYS285
3.623
ARG288
3.568
SER289
3.950
ALA292
3.472
ILE326
3.610
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-chloro-5-nitro-N-phenylbenzamide | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding dmain complexed with GW9662 in a covalent bonded form | PDB:3B0R | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [33] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DL
|
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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 .GW9 or .GW92 or .GW93 or :3GW9;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; 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: MRL20 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma LBD bound to full agonist MRL20 | PDB:2Q59 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [32] |
| PDB Sequence |
> Chain A
ESADLRALAK 216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKD > Chain B ESADLRALAK 216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 IKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIHPLLQEI472 YKD |
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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 .240 or .2402 or .2403 or :3240;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473 or .B:226 or .B:281 or .B:282 or .B:285 or .B:286 or .B:288 or .B:289 or .B:292 or .B:295 or .B:296 or .B:323 or .B:325 or .B:326 or .B:327 or .B:329 or .B:330 or .B:333 or .B:339 or .B:340 or .B:341 or .B:348 or .B:353 or .B:363 or .B:364 or .B:367 or .B:449 or .B:453; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226[A]
4.407
ILE281[A]
4.133
PHE282[A]
4.240
GLN286[A]
3.857
ARG288[A]
3.233
SER289[A]
2.832
ALA292[A]
3.666
GLU295[A]
3.985
ILE296[A]
3.619
HIS323[A]
2.797
ILE325[A]
3.925
ILE326[A]
3.758
TYR327[A]
2.989
MET329[A]
3.395
LEU330[A]
3.601
LEU333[A]
2.736
VAL339[A]
3.600
LEU340[A]
3.518
ILE341[A]
3.796
MET348[A]
3.706
LEU353[A]
3.605
MET364[A]
3.788
LYS367[A]
4.077
HIS449[A]
2.709
LEU453[A]
4.117
LEU469[A]
4.158
TYR473[A]
2.506
PHE226[B]
4.457
ILE281[B]
4.109
PHE282[B]
3.693
CYS285[B]
3.133
GLN286[B]
3.639
ARG288[B]
3.147
SER289[B]
2.900
ALA292[B]
3.606
GLU295[B]
3.754
ILE296[B]
3.304
HIS323[B]
3.815
ILE325[B]
4.133
ILE326[B]
3.552
TYR327[B]
3.739
MET329[B]
3.454
LEU330[B]
3.503
LEU333[B]
2.817
VAL339[B]
3.674
LEU340[B]
3.747
ILE341[B]
3.657
MET348[B]
3.139
LEU353[B]
3.817
PHE363[B]
3.747
MET364[B]
3.396
LYS367[B]
3.088
HIS449[B]
2.963
LEU453[B]
3.711
|
|||||
| Ligand Name: MRL24 | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma bound to partial agonist MRL24 | PDB:2Q5P | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [32] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKDL |
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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 .241 or .2412 or .2413 or :3241;style chemicals stick;color identity;select .A:226 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.597
ILE281
3.777
GLY284
3.417
CYS285
3.325
ARG288
2.562
SER289
2.888
ALA292
3.459
GLU295
3.860
ILE296
3.852
HIS323
4.998
ILE325
4.217
ILE326
3.224
TYR327
3.447
|
|||||
| Ligand Name: Edaglitazone | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Edaglitazone | PDB:5UGM | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [30] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
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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 .8A7 or .8A72 or .8A73 or :38A7;style chemicals stick;color identity;select .A:255 or .A:264 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:464 or .A:465 or .A:466 or .A:467 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.974
PHE264
3.713
ILE267
3.625
THR268
3.964
PRO269
3.428
LEU270
3.041
GLN271
2.684
GLU272
4.101
ARG280
4.388
ILE281
3.754
PHE282
3.173
GLN283
3.799
GLY284
3.710
CYS285
3.258
GLN286
3.923
PHE287
3.396
ARG288
3.997
SER289
2.457
HIS323
2.646
ILE326
4.276
|
|||||
| Ligand Name: Aleglitazar | Ligand Info | |||||
| Structure Description | Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes | PDB:3G9E | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [34] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
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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 .RO7 or .RO72 or .RO73 or :3RO7;style chemicals stick;color identity;select .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG280
4.365
ILE281
4.059
PHE282
3.659
GLY284
3.646
CYS285
3.094
GLN286
4.294
ARG288
4.018
SER289
2.626
HIS323
2.645
ILE326
4.259
TYR327
3.919
LEU330
3.252
|
|||||
| Ligand Name: (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid | Ligand Info | |||||
| Structure Description | Molecular recognition of nitro-fatty acids by PPAR gamma | PDB:3CWD | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [35] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDSKEVAIR 280 IFQGCQFRSV290 EAVQEITEYA300 KSIPGFVNLD310 LNDQVTLLKY320 GVHEIIYTML 330 ASLMNKDGVL340 ISEGQGFMTR350 EFLKSLRKPF360 GDFMEPKFEF370 AVKFNALELD 380 DSDLAIFIAV390 IILSGDRPGL400 LNVKPIEDIQ410 DNLLQALELQ420 LKLNHPESSQ 430 LFAKLLQKMT440 DLRQIVTEHV450 QLLQVIKKTE460 TDMSLHPLLQ470 EIYKDLY |
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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 .LNB or .LNB2 or .LNB3 or :3LNB;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
4.318
PHE282
4.449
GLY284
4.499
CYS285
3.207
GLN286
1.917
ARG288
3.674
SER289
3.525
ILE326
3.865
TYR327
3.511
LEU330
4.027
LEU333
4.235
|
|||||
| Ligand Name: GW0072 | Ligand Info | |||||
| Structure Description | 0072 PARTIAL AGONIST PPAR GAMMA COCRYSTAL | PDB:4PRG | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [36] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
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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 .072 or .0722 or .0723 or :3072;style chemicals stick;color identity;select .A:226 or .A:228 or .A:255 or .A:259 or .A:264 or .A:266 or .A:267 or .A:277 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:288 or .A:292 or .A:295 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.677
LEU228
4.384
LEU255
3.654
GLU259
3.282
PHE264
3.562
HIS266
2.727
ILE267
3.735
VAL277
4.480
ALA278
3.122
ARG280
2.808
ILE281
3.463
PHE282
3.843
GLY284
4.279
CYS285
3.551
ARG288
2.990
ALA292
4.360
GLU295
4.031
|
|||||
| Ligand Name: Decanoic acid | Ligand Info | |||||
| Structure Description | Ligand binding domain of PPARgamma complexed with Decanoic Acid and PGC-1a peptide | PDB:3U9Q | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [37] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKIKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDL |
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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 .DKA or .DKA2 or .DKA3 or :3DKA;style chemicals stick;color identity;select .A:278 or .A:281 or .A:282 or .A:285 or .A:286 or .A:289 or .A:323 or .A:327 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Chelerythrine | Ligand Info | |||||
| Structure Description | Identification of a novel PPARg ligand that regulates metabolism | PDB:4Y29 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [38] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTTDKSPF247 VIYDMNSLMM257 GEDKIKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTI or .CTI2 or .CTI3 or :3CTI;style chemicals stick;color identity;select .A:281 or .A:282 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand NV1346 (3a) | PDB:6T9C | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [39] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 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 .MX8 or .MX82 or .MX83 or :3MX8;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
3.591
PHE282
3.500
CYS285
3.568
GLN286
3.313
ARG288
3.327
SER289
2.818
ALA292
3.473
GLU295
3.808
ILE296
3.894
HIS323
2.876
ILE325
4.377
ILE326
4.048
|
|||||
| Ligand Name: (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid | Ligand Info | |||||
| Structure Description | X-ray structure of PPARgamma LBD with the ligand NV1380 | PDB:6QJ5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [40] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 K |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H8R or .H8R2 or .H8R3 or :3H8R;style chemicals stick;color identity;select .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:291 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE282
4.043
GLY284
4.656
CYS285
3.256
GLN286
3.292
ARG288
3.352
SER289
2.900
GLU291
4.885
HIS323
2.667
ILE326
4.266
TYR327
3.030
LEU330
3.941
LEU333
4.941
|
|||||
| Ligand Name: (2s)-3-(Biphenyl-4-Yl)-2-(Biphenyl-4-Yloxy)propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days. | PDB:6F2L | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [41] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AXY or .AXY2 or .AXY3 or :3AXY;style chemicals stick;color identity;select .A:282 or .A:283 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE282
3.302
GLN283
3.679
CYS285
3.112
GLN286
2.930
ARG288
4.378
SER289
2.774
HIS323
2.731
ILE326
3.998
TYR327
3.616
LEU330
3.598
VAL339
4.298
LEU340
4.108
ILE341
3.795
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2~{S})-2-[(4-hexoxyphenyl)carbonylamino]-3-methyl-butanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma LBD and the ligand NV1362 (7a) | PDB:6ZLY | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [40] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEEVAIRIF 282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV322 HEIIYTMLAS 332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV372 KFNALELDDS 382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK422 LNHPESSQLF 432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI472 YK |
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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 .QMH or .QMH2 or .QMH3 or :3QMH;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.153
PHE282
3.859
CYS285
3.428
GLN286
3.448
ARG288
3.366
SER289
2.619
ALA292
3.784
GLU295
4.300
ILE296
3.727
HIS323
2.942
ILE325
4.353
ILE326
3.863
|
|||||
| Ligand Name: (5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638 | PDB:6DGR | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [17] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GDY or .GDY2 or .GDY3 or :3GDY;style chemicals stick;color identity;select .A:264 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
4.623
ILE281
3.859
PHE282
3.112
GLY284
3.922
CYS285
3.320
GLN286
3.922
ARG288
4.214
SER289
2.847
HIS323
2.647
ILE326
4.527
TYR327
3.956
LEU330
3.980
|
|||||
| Ligand Name: 4-[2-(2,3-dioxo-1-pentyl-2,3-dihydro-1H-indol-5-ylsulfanyl)ethyl]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPAR gamma in complex with NMP422 | PDB:6DBH | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [42] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQEQS274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ 314 VTLLKYGVHE324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM 364 EPKFEFAVKF374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL 414 QALELQLKLN424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS 464 LHPLLQEIYK474 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .G3S or .G3S2 or .G3S3 or :3G3S;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:266 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
4.020
LYS263
4.042
PHE264
3.722
HIS266
3.047
ILE281
3.371
GLY284
3.321
CYS285
2.978
ARG288
2.727
SER289
3.617
ALA292
3.585
ILE326
3.401
TYR327
3.867
|
|||||
| Ligand Name: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid | Ligand Info | |||||
| Structure Description | X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid | PDB:3BC5 | ||||
| Method | X-ray diffraction | Resolution | 2.27 Å | Mutation | No | [43] |
| PDB Sequence |
MQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 SPFVIYDMNS254 LMMGEDKIKF 264 KHKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTEMS464 LHPLLQEIYK 474 DLY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZAA or .ZAA2 or .ZAA3 or :3ZAA;style chemicals stick;color identity;select .A:264 or .A:278 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:356 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
3.717
ALA278
3.942
ARG280
4.277
ILE281
3.629
PHE282
3.347
GLY284
3.648
CYS285
3.324
GLN286
4.046
ARG288
4.125
SER289
3.837
HIS323
4.644
ILE326
3.564
TYR327
3.435
LEU330
4.060
VAL339
4.173
|
|||||
| Ligand Name: (5S)-5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methyl-amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Structure of PPARgamma ligand binding domain - lobeglitazone complex | PDB:5Y2T | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [44] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKQSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 L
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8LX or .8LX2 or .8LX3 or :38LX;style chemicals stick;color identity;select .A:249 or .A:255 or .A:258 or .A:259 or .A:262 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.199
LEU255
3.835
GLY258
3.688
GLU259
3.947
ILE262
4.632
ARG280
3.767
ILE281
3.707
PHE282
3.144
GLY284
3.548
CYS285
3.399
GLN286
3.765
ARG288
4.235
SER289
2.636
HIS323
2.765
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (5S)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | Ligand Info | |||||
| Structure Description | Structure of PPARgamma ligand binding domain-pioglitazone complex | PDB:5Y2O | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [44] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKQSK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8N6 or .8N62 or .8N63 or :38N6;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:363 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.802
PHE282
3.193
GLY284
4.065
CYS285
3.591
GLN286
4.140
ARG288
4.177
SER289
2.553
HIS323
2.982
ILE326
3.936
TYR327
3.590
LEU330
3.836
|
|||||
| Ligand Name: 4-{1-[2-Chloro-6-(Trifluoromethyl)benzoyl]-1h-Indazol-3-Yl}benzoic Acid | Ligand Info | |||||
| Structure Description | PPAR gamma ligand binding domain in complex with MRL-871 | PDB:6TDC | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | No | [45] |
| PDB Sequence |
SHMESADLRA
241 LAKHLYDSYI251 KSFPLTKAKA261 RAILTGKTTD271 KSPFVIYDMN281 SLMMGEDKEV 305 AIRIFQGCQF315 RSVEAVQEIT325 EYAKSIPGFV335 NLDLNDQVTL345 LKYGVHEIIY 355 TMLASLMNKD365 GVLISEGQGF375 MTREFLKSLR385 KPFGDFMEPK395 FEFAVKFNAL 405 ELDDSDLAIF415 IAVIILSGDR425 PGLLNVKPIE435 DIQDNLLQAL445 ELQLKLNHPE 455 SSQLFAKLLQ465 KMTDLRQIVT475 EHVQLLQVIK485 KTETDMSLHP495 LLQEIYKDLY 505
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4F1 or .4F12 or .4F13 or :34F1;style chemicals stick;color identity;select .A:310 or .A:313 or .A:314 or .A:316 or .A:317 or .A:354 or .A:355 or .A:358 or .A:361 or .A:362 or .A:367 or .A:368 or .A:369 or .A:370 or .A:381 or .A:391 or .A:392 or .A:395 or .A:396 or .A:477 or .A:481; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE310
3.642
CYS313
3.353
GLN314
3.547
ARG316
3.134
SER317
3.442
ILE354
3.429
TYR355
4.803
LEU358
3.675
LEU361
4.497
MET362
3.338
VAL367
3.878
|
|||||
| Ligand Name: 2-[(2,4-Dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid | Ligand Info | |||||
| Structure Description | PPARgamma in complex with a 2-BABA compound | PDB:1WM0 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [46] |
| PDB Sequence |
IEGRLNPESA
209 DLRALAKHLY219 DSYIKSFPLT229 KAKARAILTG239 KTTDKSPFVI249 YDMNSLMMGE 259 DKIKFKHISK275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV 315 TLLKYGVHEI325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME 365 PKFEFAVKFN375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ 415 ALELQLKLNH425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL 465 HPLLQEIYKD475 LY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PLB or .PLB2 or .PLB3 or :3PLB;style chemicals stick;color identity;select .X:249 or .X:255 or .X:259 or .X:264 or .X:266 or .X:267 or .X:280 or .X:281 or .X:284 or .X:285 or .X:288 or .X:289 or .X:292 or .X:326 or .X:329 or .X:330 or .X:333 or .X:339 or .X:340 or .X:341 or .X:342 or .X:343 or .X:348 or .X:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.253
LEU255
3.477
GLU259
3.451
PHE264
3.704
HIS266
3.193
ILE267
4.308
ARG280
3.972
ILE281
3.244
GLY284
3.360
CYS285
3.304
ARG288
2.955
SER289
3.945
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17 | PDB:6K0T | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [22] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKE 276 VAIRIFQGQF287 RSVEAVQEIT297 EYAKSIPGFV307 NLDLNDQVTL317 LKYGVHEIIY 327 TMLASLMNKD337 GVLISEGQGF347 MTREFLKSLR357 KPFGDFMEPK367 FEFAVKFNAL 377 ELDDSDLAIF387 IAVIILSGDR397 PGLLNVKPIE407 DIQDNLLQAL417 ELQLKLNHPE 427 SSQLFAKLLQ437 KMTDLRQIVT447 EHVQLLQVIK457 KTETDMSLHP467 LLQEIYKDLY 477
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CTU or .CTU2 or .CTU3 or :3CTU;style chemicals stick;color identity;select .A:279 or .A:281 or .A:282 or .A:283 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:449 or .A:452 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE279
4.361
ILE281
4.599
PHE282
3.251
GLN283
3.373
GLN286
3.720
SER289
2.973
HIS323
2.693
ILE326
3.445
TYR327
3.586
LEU330
4.034
VAL339
3.744
LEU340
4.765
ILE341
3.671
|
|||||
| Ligand Name: 3-[5-(2-Nitropent-1-En-1-Yl)furan-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with indomethacin and nitro-233 | PDB:3ADX | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NRO or .NRO2 or .NRO3 or :3NRO;style chemicals stick;color identity;select .A:255 or .A:264 or .A:267 or .A:268 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:330 or .A:334 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
3.979
PHE264
3.084
ILE267
3.290
THR268
4.933
ARG280
4.697
ILE281
3.072
GLY284
4.558
CYS285
1.849
ARG288
3.486
SER289
4.231
ALA292
4.744
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-6-phenethylbenzoic acid | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin 1 | PDB:2YFE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [47] |
| PDB Sequence |
DQLNPESADL
211 RALAKHLYDS221 YIKSFPLTKA231 KARAILTGKT241 TDKSPFVIYD251 MNSLMMGEDK 261 ISKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YFE or .YFE2 or .YFE3 or :3YFE;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.215
LEU255
3.970
GLU259
3.815
ARG280
3.590
ILE281
3.580
GLY284
3.962
CYS285
3.380
ARG288
3.566
SER289
3.849
ILE326
4.559
TYR327
4.944
|
|||||
| Ligand Name: 2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex PPARgamma/AL26-29 | PDB:5HZC | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [48] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEVAIRIFQ 283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH323 EIIYTMLASL 333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK373 FNALELDDSD 383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL423 NHPESSQLFA 433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY473 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 .65W or .65W2 or .65W3 or :365W;style chemicals stick;color identity;select .A:228 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Amorfrutin 2 | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin 2 | PDB:4A4V | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [49] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDLY
|
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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 .YFD or .YFD2 or .YFD3 or :3YFD;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.116
GLU259
4.239
ILE262
4.343
ARG280
3.848
ILE281
3.753
GLY284
3.837
CYS285
3.455
ARG288
3.616
SER289
4.020
ILE326
4.502
|
|||||
| Ligand Name: Amorfrutin B | Ligand Info | |||||
| Structure Description | Ligand binding domain of human PPAR gamma in complex with amorfrutin B | PDB:4A4W | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [49] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKS 274 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
|
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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 .YFB or .YFB2 or .YFB3 or :3YFB;style chemicals stick;color identity;select .A:249 or .A:255 or .A:259 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:363 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE249
4.697
LEU255
3.877
GLU259
3.428
ARG280
3.791
ILE281
3.380
GLY284
3.810
CYS285
3.457
ARG288
3.245
SER289
4.054
ALA292
4.278
ILE325
4.845
ILE326
2.938
|
|||||
| Ligand Name: (5E,8E,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid | PDB:3ADW | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
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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 .OCR or .OCR2 or .OCR3 or :3OCR;style chemicals stick;color identity;select .A:226 or .A:228 or .A:229 or .A:255 or .A:264 or .A:267 or .A:268 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:292 or .A:295 or .A:326 or .A:329 or .A:330 or .A:332 or .A:333 or .A:339 or .A:341 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE226
4.309
LEU228
2.865
THR229
4.973
LEU255
4.485
PHE264
3.877
ILE267
3.408
THR268
3.204
ARG280
4.478
ILE281
3.370
GLY284
3.787
CYS285
1.861
ARG288
2.978
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Methoxyindole-3-acetic acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid | PDB:3ADW | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [1] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MYI or .MYI2 or .MYI3 or :3MYI;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; 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: Butyrolactone i | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding domain complexed with Butyrolactone 1 | PDB:6L89 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [50] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKK 275 EVAIRIFQGC285 QFRSVEAVQE295 ITEYAKSIPG305 FVNLDLNDQV315 TLLKYGVHEI 325 IYTMLASLMN335 KDGVLISEGQ345 GFMTREFLKS355 LRKPFGDFME365 PKFEFAVKFN 375 ALELDDSDLA385 IFIAVIILSG395 DRPGLLNVKP405 IEDIQDNLLQ415 ALELQLKLNH 425 PESSQLFAKL435 LQKMTDLRQI445 VTEHVQLLQV455 IKKTETDMSL465 HPLLQEIYKD 475 LY
|
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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 .E7C or .E7C2 or .E7C3 or :3E7C;style chemicals stick;color identity;select .A:228 or .A:255 or .A:280 or .A:281 or .A:284 or .A:285 or .A:288 or .A:289 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-[(1E)-1-{8-[(4-methyl-2-propyl-1H-benzimidazol-1-yl)methyl]dibenzo[b,e]oxepin-11(6H)-ylidene}ethyl]-1,2,4-oxadiazol-5(4H)-one | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-9 | PDB:6AD9 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [51] |
| PDB Sequence |
SADLRALAKH
217 LYDSYIKSFP227 LTKAKARAIL237 TGKTDKSPFV248 IYDMNSLMMG258 EDKKEVAIRI 281 FQGCQFRSVE291 AVQEITEYAK301 SIPGFVNLDL311 NDQVTLLKYG321 VHEIIYTMLA 331 SLMNKDGVLI341 SEGQGFMTRE351 FLKSLRKPFG361 DFMEPKFEFA371 VKFNALELDD 381 SDLAIFIAVI391 ILSGDRPGLL401 NVKPIEDIQD411 NLLQALELQL421 KLNHPESSQL 431 FAKLLQKMTD441 LRQIVTEHVQ451 LLQVIKKTET461 DMSLHPLLQE471 IYKDL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KK4 or .KK42 or .KK43 or :3KK4;style chemicals stick;color identity;select .A:281 or .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:353 or .A:360 or .A:363 or .A:364 or .A:449 or .A:452 or .A:453 or .A:456 or .A:463 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE281
3.960
PHE282
3.231
GLN283
3.354
CYS285
3.420
GLN286
3.519
SER289
2.843
HIS323
3.128
ILE326
4.468
TYR327
3.324
LEU330
3.952
VAL339
4.039
ILE341
3.681
MET348
4.380
|
|||||
| Ligand Name: 4'-[(2,3-Dimethyl-5-{[(1s)-1-(4-Nitrophenyl)ethyl]carbamoyl}-1h-Indol-1-Yl)methyl]biphenyl-2-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain in complex with SR1664 | PDB:5DWL | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [52] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHITPLQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476 Y
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3JX or .3JX2 or .3JX3 or :33JX;style chemicals stick;color identity;select .A:255 or .A:259 or .A:262 or .A:267 or .A:268 or .A:269 or .A:270 or .A:280 or .A:281 or .A:283 or .A:284 or .A:285 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU255
4.549
GLU259
4.469
ILE262
3.365
ILE267
3.805
THR268
4.185
PRO269
3.454
LEU270
2.930
ARG280
3.003
ILE281
3.783
GLN283
4.643
GLY284
3.741
CYS285
3.513
PHE287
3.287
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylpropanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma with an achiral ureidofibrate derivative (RT86) | PDB:3R8I | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [53] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XCX or .XCX2 or .XCX3 or :3XCX;style chemicals stick;color identity;select .A:228 or .A:264 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:344 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU228
3.304
PHE264
4.268
HIS266
4.985
ILE281
3.177
PHE282
4.015
GLY284
4.162
CYS285
2.958
GLN286
3.767
ARG288
2.769
SER289
2.534
HIS323
2.601
ILE326
4.278
TYR327
4.374
LEU330
3.880
LEU333
3.761
|
|||||
| Ligand Name: N-[2-[[3-[[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]methyl]phenyl]methoxy]phenyl]-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1453 in a covalent bonded form | PDB:5DVC | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [54] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLKEVAI279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK 319 YGVHEIIYTM329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE 369 FAVKFNALEL379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL 419 QLKLNHPESS429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL 469 QEIYKDLY
|
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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 .T53 or .T532 or .T533 or :3T53;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:266 or .A:267 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:345 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE262
3.208
LYS263
3.771
PHE264
3.249
HIS266
4.124
ILE267
3.402
ILE281
3.703
PHE282
3.511
GLY284
3.466
CYS285
1.667
GLN286
3.694
PHE287
3.970
ARG288
3.348
SER289
3.279
ALA292
3.979
HIS323
4.747
ILE326
3.426
MET329
4.495
|
|||||
| Ligand Name: (2r)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of PPARgamma with the ligand FS214 | PDB:4E4Q | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [55] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RRH or .RRH2 or .RRH3 or :3RRH;style chemicals stick;color identity;select .A:263 or .A:264 or .A:265 or .A:266 or .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:291 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2s)-3-Phenyl-2-{[2'-(Propan-2-Yl)biphenyl-4-Yl]oxy}propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal Structure of PPARgamma with the ligand JO21 | PDB:4E4K | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [55] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RRG or .RRG2 or .RRG3 or :3RRG;style chemicals stick;color identity;select .A:264 or .A:266 or .A:280 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:327 or .A:330 or .A:334 or .A:340 or .A:341 or .A:342 or .A:348 or .A:360 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE264
2.929
HIS266
3.642
ARG280
4.580
ILE281
4.147
PHE282
2.896
GLN283
3.405
GLY284
4.555
CYS285
3.003
GLN286
2.957
ARG288
3.287
SER289
2.851
ALA292
4.901
HIS323
2.379
ILE326
3.211
TYR327
3.196
LEU330
3.027
MET334
4.781
|
|||||
| Ligand Name: (2s)-(4-Chlorophenyl)[3-(Trifluoromethyl)phenoxy]ethanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen) | PDB:4PWL | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [56] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MSZ or .MSZ2 or .MSZ3 or :3MSZ;style chemicals stick;color identity;select .A:281 or .A:284 or .A:285 or .A:287 or .A:288 or .A:291 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:364; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-(Benzyloxy)phenyl]-3-Nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1405 in a covalent bonded form | PDB:5DV3 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [57] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 KEVAIRIFQG284 CQFRSVEAVQ294 EITEYAKSIP304 GFVNLDLNDQ314 VTLLKYGVHE 324 IIYTMLASLM334 NKDGVLISEG344 QGFMTREFLK354 SLRKPFGDFM364 EPKFEFAVKF 374 NALELDDSDL384 AIFIAVIILS394 GDRPGLLNVK404 PIEDIQDNLL414 QALELQLKLN 424 HPESSQLFAK434 LLQKMTDLRQ444 IVTEHVQLLQ454 VIKKTETDMS464 LHPLLQEIYK 474 DLY
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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 .B05 or .B052 or .B053 or :3B05;style chemicals stick;color identity;select .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:323 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:341 or .A:348 or .A:353 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE281
4.028
PHE282
3.423
GLY284
3.945
CYS285
1.693
GLN286
3.663
ARG288
3.256
SER289
3.458
ALA292
4.406
HIS323
4.707
ILE326
3.508
MET329
4.728
LEU330
3.644
LEU333
4.429
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|||||
| Ligand Name: N-[2-[[2-[[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]methyl]phenyl]methoxy]phenyl]-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1451 in a covalent bonded form | PDB:5DV8 | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [58] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKFK 265 HITPLSKEVA278 IRIFQGCQFR288 SVEAVQEITE298 YAKSIPGFVN308 LDLNDQVTLL 318 KYGVHEIIYT328 MLASLMNKDG338 VLISEGQGFM348 TREFLKSLRK358 PFGDFMEPKF 368 EFAVKFNALE378 LDDSDLAIFI388 AVIILSGDRP398 GLLNVKPIED408 IQDNLLQALE 418 LQLKLNHPES428 SQLFAKLLQK438 MTDLRQIVTE448 HVQLLQVIKK458 TETDMSLHPL 468 LQEIYKDLY
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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 .T51 or .T512 or .T513 or :3T51;style chemicals stick;color identity;select .A:262 or .A:263 or .A:264 or .A:265 or .A:266 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:287 or .A:288 or .A:289 or .A:292 or .A:326 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:342 or .A:343 or .A:348 or .A:353 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE262
3.393
LYS263
3.420
PHE264
3.858
LYS265
3.369
HIS266
3.597
ILE281
3.854
PHE282
3.553
GLY284
2.929
CYS285
1.668
GLN286
3.548
PHE287
3.544
ARG288
3.222
SER289
3.439
ALA292
4.341
ILE326
3.477
MET329
4.450
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|||||
| Ligand Name: N-methylidene-3-nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1404 in a covalent bonded form | PDB:5DV6 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [59] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKIKKE 276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT316 LLKYGVHEII 326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP366 KFEFAVKFNA 376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA416 LELQLKLNHP 426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH466 PLLQEIYKDL 476 Y
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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 .B4H or .B4H2 or .B4H3 or :3B4H;style chemicals stick;color identity;select .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:330 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[3-(Benzyloxy)phenyl]-3-Nitrobenzamide | Ligand Info | |||||
| Structure Description | Human PPARgamma ligand binding dmain complexed with SB1406 in a covalent bonded form | PDB:5DSH | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | No | [60] |
| PDB Sequence |
PESADLRALA
215 KHLYDSYIKS225 FPLTKAKARA235 ILTGKTTDKS245 PFVIYDMNSL255 MMGEDKEVAI 279 RIFQGCQFRS289 VEAVQEITEY299 AKSIPGFVNL309 DLNDQVTLLK319 YGVHEIIYTM 329 LASLMNKDGV339 LISEGQGFMT349 REFLKSLRKP359 FGDFMEPKFE369 FAVKFNALEL 379 DDSDLAIFIA389 VIILSGDRPG399 LLNVKPIEDI409 QDNLLQALEL419 QLKLNHPESS 429 QLFAKLLQKM439 TDLRQIVTEH449 VQLLQVIKKT459 ETDMSLHPLL469 QEIYKDLY |
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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 .6BH or .6BH2 or .6BH3 or :36BH;style chemicals stick;color identity;select .A:226 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:329 or .A:330 or .A:333 or .A:363 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.786
PHE282
3.361
CYS285
1.713
GLN286
3.821
ARG288
3.858
SER289
3.330
ALA292
3.794
GLU295
3.465
ILE296
4.146
HIS323
2.953
ILE325
3.988
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|||||
| Ligand Name: (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid | Ligand Info | |||||
| Structure Description | Cys285Ser mutant PPARgamma ligand-binding domain complexed with 15-deoxy-delta12,14-prostaglandin J2 | PDB:2ZVT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [61] |
| PDB Sequence |
QLNPESADLR
212 ALAKHLYDSY222 IKSFPLTKAK232 ARAILTGKTT242 DKSPFVIYDM252 NSLMMGEDKI 262 KFKHITPLQE272 QSKEVAIRIF282 QGSQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN 312 DQVTLLKYGV322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD 362 FMEPKFEFAV372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN 412 LLQALELQLK422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD 462 MSLHPLLQEI472 YKDL
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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 .PTG or .PTG2 or .PTG3 or :3PTG;style chemicals stick;color identity;select .A:264 or .A:267 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:341 or .A:348 or .A:363 or .A:364 or .A:367 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE264
4.378
ILE267
4.107
ILE281
3.988
PHE282
3.615
GLY284
4.148
SER285
4.023
GLN286
3.573
ARG288
2.764
SER289
2.997
HIS323
3.522
ILE326
3.330
TYR327
2.986
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2r)-2-Benzyl-3-[4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)phenyl]propanoic Acid | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist mekt21 | PDB:3VSO | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [62] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 SKEVAIRIFQ283 GCQFRSVEAV293 QEITEYAKSI303 PGFVNLDLND313 QVTLLKYGVH 323 EIIYTMLASL333 MNKDGVLISE343 GQGFMTREFL353 KSLRKPFGDF363 MEPKFEFAVK 373 FNALELDDSD383 LAIFIAVIIL393 SGDRPGLLNV403 KPIEDIQDNL413 LQALELQLKL 423 NHPESSQLFA433 KLLQKMTDLR443 QIVTEHVQLL453 QVIKKTETDM463 SLHPLLQEIY 473 KDL
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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 .EK1 or .EK12 or .EK13 or :3EK1;style chemicals stick;color identity;select .A:255 or .A:259 or .A:264 or .A:280 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:339 or .A:340 or .A:341 or .A:342 or .A:348 or .A:353 or .A:364 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU255
3.904
GLU259
4.280
PHE264
3.444
ARG280
4.450
ILE281
3.796
PHE282
2.745
GLY284
3.595
CYS285
3.265
GLN286
3.525
ARG288
3.288
SER289
2.467
HIS323
2.808
ILE326
3.981
TYR327
2.634
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|||||
| Ligand Name: (2r)-2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylbutanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma and the agonist LT160 (ureidofibrate derivative) | PDB:2I4J | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [63] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
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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 .DRJ or .DRJ2 or .DRJ3 or :3DRJ;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:339 or .A:340 or .A:341 or .A:348 or .A:353 or .A:364 or .A:367 or .A:449 or .A:453 or .A:465 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.284
ILE281
4.708
PHE282
4.122
CYS285
3.094
GLN286
3.643
ARG288
3.659
SER289
2.883
ALA292
3.156
GLU295
4.446
ILE296
3.573
HIS323
2.574
ILE325
4.326
ILE326
3.678
TYR327
4.044
MET329
2.745
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|||||
| Ligand Name: (2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the PPARgamma-LBD complexed with a new aryloxy-3phenylpropanoic acid | PDB:3HOD | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [64] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
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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 .ZZH or .ZZH2 or .ZZH3 or :3ZZH;style chemicals stick;color identity;select .A:279 or .A:282 or .A:283 or .A:285 or .A:286 or .A:289 or .A:323 or .A:326 or .A:327 or .A:330 or .A:360 or .A:363 or .A:364 or .A:449 or .A:453 or .A:456 or .A:463 or .A:464 or .A:465 or .A:469 or .A:473; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE279
4.298
PHE282
3.046
GLN283
2.763
CYS285
3.514
GLN286
3.036
SER289
2.698
HIS323
2.795
ILE326
3.884
TYR327
4.156
LEU330
3.728
PHE360
4.808
|
|||||
| Ligand Name: (2s)-2-(4-{2-[1,3-Benzoxazol-2-Yl(Heptyl)amino]ethyl}phenoxy)-2-Methylbutanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the complex between PPARgamma and the partial agonist LT127 (ureidofibrate derivative). Structure obtained from crystals of the apo-form soaked for 30 days. | PDB:2I4P | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [63] |
| PDB Sequence |
ESADLRALAK
216 HLYDSYIKSF226 PLTKAKARAI236 LTGKTTDKSP246 FVIYDMNSLM256 MGEDKIKFKH 266 ITPLQEQSKE276 VAIRIFQGCQ286 FRSVEAVQEI296 TEYAKSIPGF306 VNLDLNDQVT 316 LLKYGVHEII326 YTMLASLMNK336 DGVLISEGQG346 FMTREFLKSL356 RKPFGDFMEP 366 KFEFAVKFNA376 LELDDSDLAI386 FIAVIILSGD396 RPGLLNVKPI406 EDIQDNLLQA 416 LELQLKLNHP426 ESSQLFAKLL436 QKMTDLRQIV446 TEHVQLLQVI456 KKTETDMSLH 466 PLLQEIYKDL476
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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 .DRH or .DRH2 or .DRH3 or :3DRH;style chemicals stick;color identity;select .A:226 or .A:281 or .A:282 or .A:284 or .A:285 or .A:286 or .A:288 or .A:289 or .A:292 or .A:295 or .A:296 or .A:323 or .A:325 or .A:326 or .A:327 or .A:329 or .A:330 or .A:333 or .A:341 or .A:364 or .A:449 or .A:453 or .A:469 or .A:473; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE226
3.490
ILE281
4.721
PHE282
3.507
GLY284
4.797
CYS285
3.259
GLN286
3.107
ARG288
3.340
SER289
2.445
ALA292
3.331
GLU295
4.178
ILE296
3.568
HIS323
2.694
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(Phenylsulfonyl)-4-Propoxy-3-({[4-(Pyrimidin-2-Yl)benzoyl]amino}methyl)benzamide | Ligand Info | |||||
| Structure Description | Human PPAR gamma ligand binding domain in complex with a gammma selective synthetic partial agonist MEKT75 | PDB:3WMH | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [65] |
| PDB Sequence |
NPESADLRAL
214 AKHLYDSYIK224 SFPLTKAKAR234 AILTGKTTDK244 SPFVIYDMNS254 LMMGEDKIKF 264 KHKEVAIRIF282 QGCQFRSVEA292 VQEITEYAKS302 IPGFVNLDLN312 DQVTLLKYGV 322 HEIIYTMLAS332 LMNKDGVLIS342 EGQGFMTREF352 LKSLRKPFGD362 FMEPKFEFAV 372 KFNALELDDS382 DLAIFIAVII392 LSGDRPGLLN402 VKPIEDIQDN412 LLQALELQLK 422 LNHPESSQLF432 AKLLQKMTDL442 RQIVTEHVQL452 LQVIKKTETD462 MSLHPLLQEI 472 YKDL
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Click to Sho | ||||||