Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T13726 | Target Info | |||
| Target Name | Retinoic acid receptor RXR-alpha (RXRA) | ||||
| Synonyms | Retinoid X receptor alpha; RXRalpha; Nuclear receptor subfamily 2 group B member 1; NR2B1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | RXRA | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Alitretinoin | Ligand Info | |||||
| Structure Description | PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid | PDB:5JI0 | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [1] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPKT246 ETYVENDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD 296 QVILLRAGWN306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF 346 DRVLTELVSK356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV 396 YASLEAYCKH406 KYPEQPGRFA416 KLLLRLPALR426 FIGLKCLEHL436 FFFKLIGDTT 449 FLMEML
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ILE268
3.287
ALA271
4.114
ALA272
4.003
GLN275
2.989
TRP305
3.534
ASN306
4.054
LEU309
3.942
ILE310
4.553
PHE313
3.082
ARG316
2.712
ILE324
4.149
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tretinoin | Ligand Info | |||||
| Structure Description | hRXRalpha & mLXRalpha with an indole Pharmacophore, SB786875 | PDB:3FC6 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [2] |
| PDB Sequence |
SANEDMPVER
234 ILEAELAVDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLDTF450 LMEMLEA |
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VAL265
4.398
ILE268
3.809
CYS269
4.244
ALA271
3.388
ALA272
3.270
GLN275
3.608
TRP305
3.746
ASN306
4.622
LEU309
4.030
ILE310
4.172
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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 | Crystal Structure of the human RXR alpha ligand binding domain bound to the eicosanoid DHA (Docosa Hexaenoic Acid) and a coactivator peptide | PDB:1MV9 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDTP446 IDTFLMEMLE 456 APHQ
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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:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.413
ILE268
3.294
CYS269
4.967
ALA271
3.381
ALA272
3.397
GLN275
3.617
TRP305
4.225
ASN306
3.638
LEU309
3.465
ILE310
3.424
PHE313
3.408
ARG316
2.846
ILE324
4.313
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| Ligand Name: Bexarotene | Ligand Info | |||||
| Structure Description | Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist | PDB:3H0A | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [4] |
| PDB Sequence |
EDMPVERILE
237 AELAVENDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455
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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 .9RA or .9RA2 or .9RA3 or :39RA;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE268
3.609
CYS269
4.576
ALA271
3.300
ALA272
3.531
GLN275
3.110
TRP305
3.939
ASN306
4.284
LEU309
3.566
ILE310
4.257
PHE313
3.552
ARG316
3.224
ILE324
4.495
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: LG100754 | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide | PDB:6STI | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | No | [5] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 PHQ
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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 .754 or .7542 or .7543 or :3754;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.032
ILE268
3.571
CYS269
3.838
ALA271
3.378
ALA272
3.420
GLN275
3.329
TRP305
4.001
ASN306
3.683
LEU309
4.009
ILE310
3.840
PHE313
3.510
ARG316
2.909
ILE324
3.739
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| Ligand Name: Tributylstannanyl | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalpha ligand binding domain in complex with tributyltin and a coactivator fragment | PDB:3E94 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [6] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
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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:265 or .A:268 or .A:272 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:324 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: LG100268 | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalpha ligand binding domain in complex with a fragment of the TIF2 coactivator | PDB:7BK4 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [7] |
| PDB Sequence |
ANEDMPVERI
235 LEAELAVEPK245 TETYVEANMN262 DPVTNICQAA272 DKQLFTLVEW282 AKRIPHFSEL 292 PLDDQVILLR302 AGWNELLIAS312 FSHRSIAVKD322 GILLATGLHV332 HRNSAHSAGV 342 GAIFDRVLTE352 LVSKMRDMQM362 DKTELGCLRA372 IVLFNPDSKG382 LSNPAEVEAL 392 REKVYASLEA402 YCKHKYPEQP412 GRFAKLLLRL422 PALRSIGLKC432 LEHLFFFKLI 442 GDTPIDTFLM452 EMLE
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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 .LG2 or .LG22 or .LG23 or :3LG2;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.595
ILE268
3.503
CYS269
4.113
ALA271
3.109
ALA272
3.390
GLN275
4.098
TRP305
3.595
ASN306
4.208
LEU309
3.375
ILE310
3.708
PHE313
3.293
ARG316
2.543
ILE324
4.334
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| Ligand Name: SR-11237 | Ligand Info | |||||
| Structure Description | Crystal structure of the human RXR alpha ligand binding domain bound to the synthetic agonist compound BMS 649 and a coactivator peptide | PDB:1MVC | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDTP446 IDTFLMEMLE 456 AP
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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 .BM6 or .BM62 or .BM63 or :3BM6;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.051
ILE268
3.599
CYS269
4.799
ALA271
3.541
ALA272
3.381
GLN275
3.306
TRP305
3.813
ASN306
3.466
LEU309
3.646
ILE310
3.542
PHE313
3.453
ARG316
3.082
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CD3254 | Ligand Info | |||||
| Structure Description | Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid | PDB:3FUG | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [8] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
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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 .2E3 or .2E32 or .2E33 or :32E3;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
3.995
ILE268
3.335
CYS269
4.184
ALA271
3.377
ALA272
3.524
GLN275
3.306
TRP305
4.575
ASN306
2.604
LEU309
3.626
ILE310
4.127
PHE313
3.426
ARG316
2.870
ILE324
3.824
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| Ligand Name: RHEIN | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein | PDB:3R2A | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [9] |
| PDB Sequence |
ANEDMPVERI
235 LEAELAVEPK245 DPVTNICQAA272 DKQLFTLVEW282 AKRIPHFSEL292 PLDDQVILLR 302 AGWNELLIAS312 FSHRSIAVKD322 GILLATGLHV332 HRNSAHSAGV342 GAIFDRVLTE 352 LVSKMRDMQM362 DKTELGCLRA372 IVLFNPDSKG382 LSNPAEVEAL392 REKVYASLEA 402 YCKHKYPEQP412 GRFAKLLLRL422 PALRSIGLKC432 LEHLFFFKLI442 GDTPIDTFLM 452 E
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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 .RHN or .RHN2 or .RHN3 or :3RHN;style chemicals stick;color identity;select .A:264 or .A:265 or .A:268 or .A:306 or .A:309 or .A:310 or .A:313 or .A:324 or .A:326 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Chaps | Ligand Info | |||||
| Structure Description | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor RXR-ALPHA | PDB:6HN6 | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [10] |
| PDB Sequence |
SANEDMPVER
234 ILEAELAVEP244 KTETYVEANM254 GLNPSSPNDP264 VTNICQAADK274 QLFTLVEWAK 284 RIPHFSELPL294 DDQVILLRAG304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR 334 NSAHSAGVGA344 IFDRVLTELV354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS 384 NPAEVEALRE394 KVYASLEAYC404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE 434 HLFFFKLIGD444 TPIDTFLMEM454 LEAPHQMT
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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 .CPS or .CPS2 or .CPS3 or :3CPS;style chemicals stick;color identity;select .A:246 or .A:247 or .A:250 or .A:251 or .A:252 or .A:253 or .A:254 or .A:255 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261 or .A:262 or .A:267 or .A:328 or .A:330 or .A:331 or .A:445 or .A:446 or .A:449 or .A:452 or .A:453 or .A:456; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR246
3.899
GLU247
3.825
VAL250
3.721
GLU251
4.246
ALA252
2.720
ASN253
3.128
MET254
4.063
GLY255
3.341
LEU256
3.650
ASN257
4.064
PRO258
3.300
SER259
4.085
SER260
2.918
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| Ligand Name: (2e)-3-[6-Hydroxy-3'-(Prop-2-En-1-Yl)biphenyl-3-Yl]prop-2-Enoic Acid | Ligand Info | |||||
| Structure Description | Retinoic acid receptor alpha in complex with (E)-3-(3'-allyl-6-hydroxy-[1,1'-biphenyl]-3-yl)acrylic acid and a fragment of the coactivator TIF2 | PDB:4OC7 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [11] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPNDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 EAP
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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 .2QO or .2QO2 or .2QO3 or :32QO;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE268
3.595
ALA271
3.132
ALA272
3.987
GLN275
3.619
TRP305
4.693
ASN306
2.718
LEU309
3.916
ILE310
3.947
PHE313
3.576
ARG316
3.356
ILE324
3.512
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| Ligand Name: 5-(2-{(1z)-2-Methyl-1-[4-(Propan-2-Yl)benzylidene]-1h-Inden-3-Yl}ethyl)-1h-Tetrazole | Ligand Info | |||||
| Structure Description | Crystal structure of RXRa LBD complexed with a synthetic modulator K-8008 | PDB:4N8R | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | No | [12] |
| PDB Sequence |
DPVTNICQAA
272 DKQLFTLVEW282 AKRIPHFSEL292 PLDDQVILLR302 AGWNELLIAS312 FSHRSIAVKD 322 GILLATGLHV332 HRNSAHSAGV342 GAIFDRVLTE352 LVSKMRDMQM362 DKTELGCLRA 372 IVLFNPDSKG382 LSNPAEVEAL392 REKVYASLEA402 YCKHKYPEQP412 GRFAKLLLRL 422 PALRSIGLKC432 LEHLFFFKLI442 GDTPIDTFLM452 EMLEAPH
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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 .K08 or .K082 or .K083 or :3K08;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:309 or .A:326 or .A:330 or .A:432 or .A:433 or .A:436 or .A:437 or .A:438 or .A:439 or .A:442 or .A:443; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-(2-{(1z)-5-Fluoro-2-Methyl-1-[4-(Propan-2-Yl)benzylidene]-1h-Inden-3-Yl}ethyl)-1h-Tetrazole | Ligand Info | |||||
| Structure Description | Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | PDB:4N5G | ||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [12] |
| PDB Sequence |
DPVTNICQAA
272 DKQLFTLVEW282 AKRIPHFSEL292 PLDDQVILLR302 AGWNELLIAS312 FSHRSIAVKD 322 GILLATGLHV332 HRNSAHSAGV342 GAIFDRVLTE352 LVSKMRDMQM362 DKTELGCLRA 372 IVLFNPDSKG382 LSNPAEVEAL392 REKVYASLEA402 YCKHKYPEQP412 GRFAKLLLRL 422 PALRSIGLKC432 LEHLFFFKLI442 GDTPIDTFLM452 EMLEAP
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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 .K09 or .K092 or .K093 or :3K09;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:326 or .A:327 or .A:328 or .A:330 or .A:432 or .A:433 or .A:436 or .A:437 or .A:438 or .A:439 or .A:442 or .A:443; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Triphenyltin hydride | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalpha ligand binding domain in complex with triphenyltin and a coactivator fragment | PDB:3KWY | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [13] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDID448 TFLMEMLEAP 458
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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 .T9T or .T9T2 or .T9T3 or :3T9T;style chemicals stick;color identity;select .A:265 or .A:268 or .A:272 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:324 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 2,4-Di-tert-butylphenol | Ligand Info | |||||
| Structure Description | Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment | PDB:7NKE | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [14] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UGW or .UGW2 or .UGW3 or :3UGW;style chemicals stick;color identity;select .A:268 or .A:272 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:324 or .A:326 or .A:346 or .A:349 or .A:432 or .A:433 or .A:436 or .A:451; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: [5-Fluoro-1-(4-isopropylbenzylidene)-2-methylinden-3-yl]acetic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of RXR-alpha ligand binding domain complexed with synthetic modulator K8003 | PDB:5TBP | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [15] |
| PDB Sequence |
DPVTNICQAA
272 DKQLFTLVEW282 AKRIPHFSEL292 PLDDQVILLR302 AGWNELLIAS312 FSHRSIAVKD 322 GILLATGLHV332 HRNSAHSAGV342 GAIFDRVLTE352 LVSKMRDMQM362 DKTELGCLRA 372 IVLFNPDSKG382 LSNPAEVEAL392 REKVYASLEA402 YCKHKYPEQP412 GRFAKLLLRL 422 PALRSIGLKC432 LEHLFFFKLI442 GDTPIDTFLM452 EMLEAPHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7A4 or .7A42 or .7A43 or :37A4;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:273 or .A:275 or .A:276 or .A:279 or .A:298 or .A:301 or .A:302 or .A:305 or .A:309 or .A:312 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:436 or .A:437 or .A:438 or .A:439 or .A:440 or .A:441 or .A:442 or .A:443 or .A:447 or .A:450 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
2.377
ILE268
2.198
CYS269
3.728
ALA271
2.530
ALA272
2.545
ASP273
4.463
GLN275
2.090
LEU276
2.058
LEU279
3.591
VAL298
4.487
LEU301
2.914
ARG302
2.033
TRP305
2.362
LEU309
2.047
SER312
4.825
PHE313
2.160
ARG316
2.131
|
|||||
| Ligand Name: 2-[Ethyl[3-(2-methoxyethoxy)-4-isopropylphenyl]amino]-5-pyridinecarboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator | PDB:6LB4 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [16] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPYV250 EADPVTNICQ270 AADKQLFTLV280 EWAKRIPHFS290 ELPLDDQVIL 300 LRAGWNELLI310 ASFSHRSIAV320 KDGILLATGL330 HVHRNSAHSA340 GVGAIFDRVL 350 TELVSKMRDM360 QMDKTELGCL370 RAIVLFNPDS380 KGLSNPAEVE390 ALREKVYASL 400 EAYCKHKYPE410 QPGRFAKLLL420 RLPALRSIGL430 KCLEHLFFFK440 LIGDTPIDTF 450 LMEMLEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8L or .E8L2 or .E8L3 or :3E8L;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.395
ILE268
3.452
CYS269
4.437
ALA271
3.346
ALA272
3.494
GLN275
3.523
TRP305
4.079
ASN306
3.742
LEU309
3.425
ILE310
3.574
PHE313
3.439
ARG316
2.888
ILE324
3.819
|
|||||
| Ligand Name: 1-(3,5,5,8,8-Pentamethyl-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | PDB:6L6K | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [17] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9HF or .9HF2 or .9HF3 or :39HF;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.030
ILE268
3.380
CYS269
4.671
ALA271
3.594
ALA272
3.477
GLN275
3.299
TRP305
4.473
ASN306
3.843
LEU309
3.417
ILE310
4.636
PHE313
3.401
ARG316
2.942
ILE324
3.914
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-[3-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human RXRalpha ligand binding domain complexed with CBTF-EE. | PDB:7CFO | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [18] |
| PDB Sequence |
PVTNICQAAD
273 KQLFTLVEWA283 KRIPHFSELP293 LDDQVILLRA303 GWNELLIASF313 SHRSIAVKDG 323 ILLALHVHRN335 SAHSAGVGAI345 FDRVLTELVS355 KMRDMQMDKT365 ELGCLRAIVL 375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK405 HKYPEQPGRF415 AKLLLRLPAL 425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML455 EAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WZ6 or .WZ62 or .WZ63 or :3WZ6;style chemicals stick;color identity;select .A:268 or .A:269 or .A:272 or .A:275 or .A:302 or .A:305 or .A:309 or .A:326 or .A:432 or .A:433 or .A:436 or .A:437 or .A:438 or .A:439 or .A:442; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 7-Oxidanyl-2-oxidanylidene-6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)chromene-3-carboxylic acid | Ligand Info | |||||
| Structure Description | RXRa structure complexed with CU-6PMN and SRC1 peptide. | PDB:6JNR | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [19] |
| PDB Sequence |
DMPVERILEA
255 ELAVEPNDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 EAPH
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .WY5 or .WY52 or .WY53 or :3WY5;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.100
ILE268
3.336
CYS269
4.110
ALA271
3.363
ALA272
3.618
GLN275
2.960
TRP305
4.461
ASN306
2.596
LEU309
3.098
ILE310
4.133
PHE313
3.331
ARG316
2.738
ILE324
3.908
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nicotinic acid | Ligand Info | |||||
| Structure Description | Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator | PDB:6LB5 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [20] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDTP446 IDTFLMEMLE 456 A
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E80 or .E802 or .E803 or :3E80;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.426
ILE268
3.498
CYS269
4.347
ALA271
3.393
ALA272
3.463
GLN275
3.294
TRP305
4.190
ASN306
3.236
LEU309
3.449
ILE310
3.660
PHE313
3.415
ARG316
2.943
|
|||||
| Ligand Name: 6-[Ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid | Ligand Info | |||||
| Structure Description | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator | PDB:6LB6 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [21] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E8O or .E8O2 or .E8O3 or :3E8O;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
3.765
ILE268
3.564
CYS269
4.254
ALA271
3.536
ALA272
3.593
GLN275
3.251
TRP305
4.234
ASN306
3.677
LEU309
3.391
ILE310
3.640
PHE313
3.408
ARG316
3.132
ILE324
3.758
|
|||||
| Ligand Name: (2e)-3-[4-Hydroxy-3-(3-Methoxy-5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)phenyl]acrylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-methoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | PDB:2P1T | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [22] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3TN or .3TN2 or .3TN3 or :33TN;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.109
ILE268
3.405
CYS269
3.648
ALA271
3.281
ALA272
3.666
GLN275
3.322
TRP305
4.491
ASN306
2.553
LEU309
3.614
ILE310
4.145
PHE313
3.348
ARG316
2.959
ILE324
3.381
|
|||||
| Ligand Name: 9-cis-13,14-Dihydroretinoic acid | Ligand Info | |||||
| Structure Description | RXR LBD in complex with 9-cis-13,14-dihydroretinoic acid | PDB:4ZSH | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [23] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPNDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 EAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4XW or .4XW2 or .4XW3 or :34XW;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.542
ILE268
3.358
CYS269
4.411
ALA271
3.419
ALA272
3.827
GLN275
3.369
TRP305
4.358
ASN306
4.477
LEU309
4.005
ILE310
4.292
PHE313
3.251
ARG316
2.616
ILE324
4.929
|
|||||
| Ligand Name: (2~{r})-6,6,9,9-Tetramethylspiro[3,4,7,8-Tetrahydrobenzo[g]chromene-2,2'-3,4-Dihydrochromene]-6'-Carboxylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoic Acid Receptor alpha in complex with a synthetic spiroketal agonist and a fragment of the TIF2 co-activator. | PDB:5LYQ | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | No | [24] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDTP446 IDTFLMEMLE 456 AP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7BE or .7BE2 or .7BE3 or :37BE;style chemicals stick;color identity;select .A:265 or .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:312 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
3.955
ILE268
3.100
ALA271
3.645
ALA272
3.215
GLN275
3.721
TRP305
4.310
ASN306
3.669
LEU309
3.449
ILE310
3.655
SER312
4.803
PHE313
3.547
ARG316
3.072
ILE324
3.735
|
|||||
| Ligand Name: (2e)-3-[3-(3-Ethoxy-5,5,8,8-Tetramethyl-5,6,7,8-Tetrahydronaphthalen-2-Yl)-4-Hydroxyphenyl]acrylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | PDB:2P1U | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [22] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4TN or .4TN2 or .4TN3 or :34TN;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.121
ILE268
3.470
CYS269
4.062
ALA271
3.179
ALA272
3.495
GLN275
3.188
TRP305
4.498
ASN306
2.641
LEU309
3.552
ILE310
3.817
PHE313
3.436
ARG316
2.947
ILE324
3.505
|
|||||
| Ligand Name: (2e)-3-[4-Hydroxy-3-(5,5,8,8-Tetramethyl-3-Propoxy-5,6,7,8-Tetrahydronaphthalen-2-Yl)phenyl]acrylic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2 | PDB:2P1V | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [22] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5TN or .5TN2 or .5TN3 or :35TN;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.252
ILE268
3.490
CYS269
3.881
ALA271
3.198
ALA272
3.833
GLN275
3.305
TRP305
4.089
ASN306
2.660
LEU309
3.614
ILE310
3.888
PHE313
3.443
ARG316
3.079
ILE324
3.601
|
|||||
| Ligand Name: Magnolol | Ligand Info | |||||
| Structure Description | Crystal structure of RXRalphaLBD complexed with the agonist magnolol | PDB:3R5M | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [25] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPND263 PVTNICQAAD273 KQLFTLVEWA283 KRIPHFSELP293 LDDQVILLRA 303 GWNELLIASF313 SHRSIAVKDG323 ILLATGLHVH333 RNSAHSAGVG343 AIFDRVLTEL 353 VSKMRDMQMD363 KTELGCLRAI373 VLFNPDSKGL383 SNPAEVEALR393 EKVYASLEAY 403 CKHKYPEQPG413 RFAKLLLRLP423 ALRSIGLKCL433 EHLFFFKLIG443 DTPIDTFLME 453 MLEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MLO or .MLO2 or .MLO3 or :3MLO;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.193
ALA271
3.876
ALA272
3.617
GLN275
3.708
TRP305
4.640
ASN306
3.775
LEU309
3.796
ILE310
3.887
PHE313
3.533
ARG316
4.437
ILE324
4.001
|
|||||
| Ligand Name: 4-[2-(1,1,3,3-Tetramethyl-2,3-Dihydro-1h-1,3-Benzodisilol-5-Yl)-1,3-Dioxolan-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | PDB:2ZY0 | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [26] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPND263 PVTNICQAAD273 KQLFTLVEWA283 KRIPHFSELP293 LDDQVILLRA 303 GWNELLIASF313 SHRSIAVKDG323 ILLATGLHVH333 RNSAHSAGVG343 AIFDRVLTEL 353 VSKMRDMQMD363 KTELGCLRAI373 VLFNPDSKGL383 SNPAEVEALR393 EKVYASLEAY 403 CKHKYPEQPG413 RFAKLLLRLP423 ALRSIGLKCL433 EHLFFFKLIG443 DTPIDTFLME 453 MLEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .21P or .21P2 or .21P3 or :321P;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
3.934
ILE268
3.585
CYS269
4.971
ALA271
3.243
ALA272
3.250
GLN275
3.208
TRP305
3.614
ASN306
3.062
LEU309
3.562
ILE310
3.462
PHE313
3.565
ARG316
2.925
|
|||||
| Ligand Name: 4-[2-(1,1,3,3-Tetramethyl-2,3-Dihydro-1h-Inden-5-Yl)-1,3-Dioxolan-2-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the human RXR alpha ligand binding domain bound to a synthetic agonist compound and a coactivator peptide | PDB:2ZXZ | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [26] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPNDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 EAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P26 or .P262 or .P263 or :3P26;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
3.873
ILE268
3.505
CYS269
4.637
ALA271
3.305
ALA272
3.217
GLN275
3.369
TRP305
3.719
ASN306
3.060
LEU309
3.747
ILE310
3.552
PHE313
3.423
ARG316
3.025
ILE324
4.056
|
|||||
| Ligand Name: Bigelovin | Ligand Info | |||||
| Structure Description | Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1 | PDB:3OZJ | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [27] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPND263 PVTNICQAAD273 KQLFTLVEWA283 KRIPHFSELP293 LDDQVILLRA 303 GWNELLIASF313 SHRSIAVKDG323 ILLATGLHVH333 RNSAHSAGVG343 AIFDRVLTEL 353 VSKMRDMQMD363 KTELGCLRAI373 VLFNPDSKGL383 SNPAEVEALR393 EKVYASLEAY 403 CKHKYPEQPG413 RFAKLLLRLP423 ALRSIGLKCL433 EHLFFFKLIG443 DTPIDTFLME 453 MLEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BGV or .BGV2 or .BGV3 or :3BGV;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:272 or .A:309 or .A:310 or .A:313 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Pentadecanoic acid | Ligand Info | |||||
| Structure Description | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | PDB:1XVP | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [28] |
| PDB Sequence |
NEDMPVERIL
236 EAELAVEPKT246 ETYVEANMGL256 NPSSPNDPVT266 NICQAADKQL276 FTLVEWAKRI 286 PHFSELPLDD296 QVILLRAGWN306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS 336 AHSAGVGAIF346 DRVLTELVSK356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP 386 AEVEALREKV396 YASLEAYCKH406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL 436 FFFKLIGDTP446 IDTFLMEMLE456 AP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F15 or .F152 or .F153 or :3F15;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
2.900
ALA271
2.864
ALA272
2.570
GLN275
3.062
TRP305
3.958
ASN306
3.872
LEU309
2.917
ILE310
2.820
PHE313
2.470
ARG316
2.940
ILE324
4.817
LEU325
4.527
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1 | PDB:4RMD | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [29] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3SW or .3SW2 or .3SW3 or :33SW;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.301
ILE268
3.442
CYS269
4.593
ALA271
3.292
ALA272
3.509
GLN275
3.422
TRP305
3.873
ASN306
4.101
LEU309
3.979
ILE310
4.431
PHE313
3.388
ARG316
2.770
ILE324
4.458
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-[2-(3-Methylbutyl)-3-(Propan-2-Yl)cyclohex-2-En-1-Ylidene]octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1 | PDB:4RME | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [29] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3T2 or .3T22 or .3T23 or :33T2;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.243
ILE268
3.677
CYS269
4.404
ALA271
3.320
ALA272
3.309
GLN275
3.508
TRP305
3.486
ASN306
3.876
LEU309
3.983
ILE310
4.353
PHE313
3.376
ARG316
2.732
ILE324
3.301
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-(5-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1 | PDB:4PP5 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [30] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2W0 or .2W02 or .2W03 or :32W0;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.777
CYS269
4.511
ALA271
3.435
ALA272
3.394
GLN275
3.515
TRP305
3.895
ASN306
4.319
LEU309
4.046
ILE310
4.272
PHE313
3.478
ARG316
2.723
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-(6-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 | PDB:4PP3 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [30] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VZ or .2VZ2 or .2VZ3 or :32VZ;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:325 or .A:326 or .A:327 or .A:328 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.661
CYS269
4.893
ALA271
3.272
ALA272
3.215
GLN275
3.369
TRP305
4.165
ASN306
4.490
LEU309
3.938
ILE310
4.455
PHE313
3.683
ARG316
2.877
LEU325
4.708
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-(7-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 7-methyl UAB30 and the coactivator peptide GRIP-1 | PDB:4POJ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [30] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VP or .2VP2 or .2VP3 or :32VP;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.638
CYS269
4.475
ALA271
3.288
ALA272
3.396
GLN275
3.521
TRP305
3.975
ASN306
4.363
LEU309
4.014
ILE310
4.537
PHE313
3.542
ARG316
2.943
ILE324
4.436
|
|||||
| Ligand Name: Retinoid 9CUAB30 | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9cUAB30 and the coactivator peptide GRIP-1 | PDB:4K4J | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [31] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1O8 or .1O82 or .1O83 or :31O8;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.699
ALA271
3.243
ALA272
3.324
GLN275
3.491
TRP305
4.019
ASN306
4.342
LEU309
3.986
ILE310
4.457
PHE313
3.440
ARG316
2.864
LEU325
4.835
|
|||||
| Ligand Name: (2e,6z,8e)-3,7-Dimethyl-8-[(4r)-4-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene]octa-2,6-Dienoic Acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1 | PDB:4M8H | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [32] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R4M or .R4M2 or .R4M3 or :3R4M;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.645
ILE268
3.286
CYS269
4.950
ALA271
3.036
ALA272
3.735
GLN275
3.530
TRP305
3.700
ASN306
3.838
LEU309
3.924
ILE310
4.346
PHE313
3.411
ARG316
2.821
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-(8-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene)octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | PDB:4POH | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [30] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2VR or .2VR2 or .2VR3 or :32VR;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.636
CYS269
4.128
ALA271
3.335
ALA272
3.338
GLN275
3.347
TRP305
3.799
ASN306
4.164
LEU309
4.072
ILE310
4.301
PHE313
3.501
ARG316
2.910
|
|||||
| Ligand Name: (2e,4e,6z,8e)-3,7-Dimethyl-8-(6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-5-Ylidene)octa-2,4,6-Trienoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of human retinoid X Receptor alpha-ligand binding domain complex with 9cUAB70 and the coactivator peptide GRIP-1 | PDB:4RFW | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [29] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3RB or .3RB2 or .3RB3 or :33RB;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.408
CYS269
4.789
ALA271
3.124
ALA272
3.294
GLN275
3.789
TRP305
4.248
ASN306
4.644
LEU309
4.564
ILE310
4.282
PHE313
3.322
ARG316
3.081
ILE324
4.223
|
|||||
| Ligand Name: (3e,6z,8e)-3,7-Dimethyl-8-[(4s)-4-Methyl-3,4-Dihydronaphthalen-1(2h)-Ylidene]octa-3,6-Dienoic Acid | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (S) 4-Methyl 9cUAB30 COACTIVATOR PEPTIDE GRIP-1 | PDB:4M8E | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [32] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29V or .29V2 or .29V3 or :329V;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.491
ALA271
2.986
ALA272
3.632
GLN275
3.504
TRP305
3.740
ASN306
4.016
LEU309
4.089
ILE310
4.161
PHE313
3.313
ARG316
3.115
ILE324
4.703
|
|||||
| Ligand Name: (+)-Rutamarin | Ligand Info | |||||
| Structure Description | Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide | PDB:3PCU | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [33] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LX8 or .LX82 or .LX83 or :3LX8;style chemicals stick;color identity;select .A:265 or .A:268 or .A:271 or .A:272 or .A:275 or .A:309 or .A:310 or .A:313 or .A:316 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:431 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
3.899
ILE268
2.933
ALA271
2.931
ALA272
3.368
GLN275
3.267
LEU309
3.058
ILE310
4.220
PHE313
3.143
ARG316
2.863
LEU325
4.935
LEU326
3.569
|
|||||
| Ligand Name: 3-(5-(3,5-Bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S169 inhibitor | PDB:7B9O | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [34] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T72 or .T722 or .T723 or :3T72;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:332 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:429 or .A:431 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.410
ALA271
3.430
ALA272
3.760
GLN275
3.325
TRP305
3.168
ASN306
3.600
LEU309
4.173
ILE310
3.568
PHE313
3.336
ARG316
3.162
ILE324
3.396
LEU325
4.536
LEU326
3.348
ALA327
2.810
THR328
4.948
|
|||||
| Ligand Name: 3-[5-[3,5-Bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | PDB:7B88 | ||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [34] |
| PDB Sequence |
MDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .T2K or .T2K2 or .T2K3 or :3T2K;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:312 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:345 or .A:346 or .A:349 or .A:429 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439 or .A:451; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.254
ALA271
3.491
ALA272
3.706
GLN275
3.497
TRP305
2.949
ASN306
3.368
LEU309
3.858
ILE310
3.996
SER312
4.933
PHE313
3.278
ARG316
3.116
ILE324
4.470
LEU325
4.806
|
|||||
| Ligand Name: (~{E})-3-[4-oxidanyl-3-(5-prop-2-enyl-2-propoxy-phenyl)phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 9 and a fragment of the TIF2 co-activator. | PDB:5MKJ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [35] |
| PDB Sequence |
DMPVERILEA
238 ELAVEDPVTN267 ICQAADKQLF277 TLVEWAKRIP287 HFSELPLDDQ297 VILLRAGWNE 307 LLIASFSHRS317 IAVKDGILLA327 TGLHVHRNSA337 HSAGVGAIFD347 RVLTELVSKM 357 RDMQMDKTEL367 GCLRAIVLFN377 PDSKGLSNPA387 EVEALREKVY397 ASLEAYCKHK 407 YPEQPGRFAK417 LLLRLPALRS427 IGLKCLEHLF437 FFKLIGDTPI447 DTFLMEMLEA 457 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4CU or .4CU2 or .4CU3 or :34CU;style chemicals stick;color identity;select .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439 or .A:451; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
2.662
CYS269
3.342
ALA271
2.913
ALA272
3.425
GLN275
3.410
TRP305
3.753
ASN306
2.780
LEU309
2.943
ILE310
3.117
PHE313
2.890
ARG316
3.155
ILE324
3.485
|
|||||
| Ligand Name: 2-[4-[3,5-Bis(trifluoromethyl)phenyl]phenyl]ethanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoic Acid Receptor alpha in complex with compound 24 (JP175) | PDB:6SJM | ||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [36] |
| PDB Sequence |
MDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LFZ or .LFZ2 or .LFZ3 or :3LFZ;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:309 or .A:312 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:431 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.236
ALA271
3.813
ALA272
3.902
GLN275
3.588
LEU309
3.771
SER312
4.571
PHE313
3.351
ARG316
3.254
ILE324
3.573
LEU325
4.681
LEU326
3.624
|
|||||
| Ligand Name: (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoid X Receptor alpha in complex with synthetichonokiol derivative 3 and a fragment of the TIF2 co-activator. | PDB:5MJ5 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [35] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7O0 or .7O02 or .7O03 or :37O0;style chemicals stick;color identity;select .A:264 or .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:332 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PRO264
4.526
ILE268
3.510
ALA271
3.411
ALA272
3.818
GLN275
2.945
TRP305
3.786
ASN306
1.966
LEU309
3.009
ILE310
4.221
PHE313
3.119
ARG316
2.556
ILE324
3.213
LEU325
4.328
|
|||||
| Ligand Name: (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 7 and a fragment of the TIF2 co-activator. | PDB:5MK4 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [35] |
| PDB Sequence |
DMPVERILEA
238 ELAVESSPND263 PVTNICQAAD273 KQLFTLVEWA283 KRIPHFSELP293 LDDQVILLRA 303 GWNELLIASF313 SHRSIAVKDG323 ILLATGLHVH333 RNSAHSAGVG343 AIFDRVLTEL 353 VSKMRDMQMD363 KTELGCLRAI373 VLFNPDSKGL383 SNPAEVEALR393 EKVYASLEAY 403 CKHKYPEQPG413 RFAKLLLRLP423 ALRSIGLKCL433 EHLFFFKLIG443 DTPIDTFLME 453 MLEA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I5W or .I5W2 or .I5W3 or :3I5W;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:332 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:350 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
3.202
ALA271
3.172
ALA272
3.538
GLN275
3.503
TRP305
3.736
ASN306
2.786
LEU309
3.015
ILE310
3.202
PHE313
2.817
ARG316
2.755
ILE324
3.378
LEU325
4.683
LEU326
3.345
ALA327
2.651
|
|||||
| Ligand Name: (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator. | PDB:5MMW | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [35] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPNDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 EA
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SJZ or .SJZ2 or .SJZ3 or :3SJZ;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:332 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
2.664
ALA271
2.999
ALA272
2.875
GLN275
3.094
TRP305
4.119
ASN306
2.684
LEU309
2.780
ILE310
3.672
PHE313
2.678
ARG316
3.191
ILE324
4.224
LEU325
4.809
LEU326
3.450
|
|||||
| Ligand Name: (~{E})-3-[4-oxidanyl-3-(3-propan-2-ylphenyl)phenyl]prop-2-enoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 4 and a fragment of the TIF2 co-activator. | PDB:5MKU | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [35] |
| PDB Sequence |
DMPVERILEA
238 ELAVDPVTNI268 CQAADKQLFT278 LVEWAKRIPH288 FSELPLDDQV298 ILLRAGWNEL 308 LIASFSHRSI318 AVKDGILLAT328 GLHVHRNSAH338 SAGVGAIFDR348 VLTELVSKMR 358 DMQMDKTELG368 CLRAIVLFNP378 DSKGLSNPAE388 VEALREKVYA398 SLEAYCKHKY 408 PEQPGRFAKL418 LLRLPALRSI428 GLKCLEHLFF438 FKLIGDTPID448 TFLMEMLE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .J57 or .J572 or .J573 or :3J57;style chemicals stick;color identity;select .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:332 or .A:337 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:433 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE268
2.784
ALA271
3.188
ALA272
3.618
GLN275
3.407
TRP305
3.640
ASN306
1.770
LEU309
2.934
ILE310
3.672
PHE313
3.127
ARG316
2.212
ILE324
3.147
LEU325
4.592
LEU326
3.293
|
|||||
| Ligand Name: 4-[(11s,15r)-4,4,7,7-Tetramethyl-16-Oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-Trien-11-Yl]benzoic Acid | Ligand Info | |||||
| Structure Description | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | PDB:5EC9 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [37] |
| PDB Sequence |
DMPVERILEA
238 ELAVEPDPVT266 NICQAADKQL276 FTLVEWAKRI286 PHFSELPLDD296 QVILLRAGWN 306 ELLIASFSHR316 SIAVKDGILL326 ATGLHVHRNS336 AHSAGVGAIF346 DRVLTELVSK 356 MRDMQMDKTE366 LGCLRAIVLF376 NPDSKGLSNP386 AEVEALREKV396 YASLEAYCKH 406 KYPEQPGRFA416 KLLLRLPALR426 SIGLKCLEHL436 FFFKLIGDTP446 IDTFLMEMLE 456
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5LO or .5LO2 or .5LO3 or :35LO;style chemicals stick;color identity;select .A:265 or .A:268 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL265
4.089
ILE268
3.576
ALA271
3.367
ALA272
3.742
GLN275
3.478
TRP305
3.894
ASN306
3.844
LEU309
3.799
ILE310
3.378
PHE313
3.370
ARG316
2.936
ILE324
3.698
|
|||||
| Ligand Name: 3[N-Morpholino]propane sulfonic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the Human Retinoid X Receptor DNA-Binding Domain Bound to the Human MEp DR1 Response Element, pH 7.0 | PDB:6FBQ | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [38] |
| PDB Sequence |
FTKHICAICG
139 DRSSGKHYGV149 YSCEGCKGFF159 KRTVRKDLTY169 TCRDNKDCLI179 DKRQRNRCQY 189 CRYQKCLAMG199 MKREAVQEER209
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MPO or .MPO2 or .MPO3 or :3MPO;style chemicals stick;color identity;select .A:136 or .A:145 or .A:148 or .A:149 or .A:150 or .A:197 or .A:198 or .A:199; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | Ligand Info | |||||
| Structure Description | Crystal Structure of a new rexinoid bound to the RXRalpha ligand binding doamin in the RXRalpha/PPARgamma heterodimer | PDB:1RDT | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [39] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPDPV265 TNICQAADKQ275 LFTLVEWAKR285 IPHFSELPLD295 DQVILLRAGW 305 NELLIASFSH315 RSIAVKDGIL325 LATGLHVHRN335 SAHSAGVGAI345 FDRVLTELVS 355 KMRDMQMDKT365 ELGCLRAIVL375 FNPDSKGLSN385 PAEVEALREK395 VYASLEAYCK 405 HKYPEQPGRF415 AKLLLRLPAL425 RSIGLKCLEH435 LFFFKLIGDT445 PIDTFLMEML 455 E
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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 .L79 or .L792 or .L793 or :3L79;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:312 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.063
ILE268
3.627
CYS269
4.896
ALA271
3.699
ALA272
3.627
GLN275
3.300
TRP305
3.784
ASN306
2.955
LEU309
3.326
ILE310
4.094
SER312
4.754
PHE313
3.563
ARG316
2.988
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| Ligand Name: (3S,7S,8E)-8-[3-ethyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethyloctanoic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of human retinoid X receptor alpha-ligand binding domain complex with 9cUAB76 and the coactivator peptide GRIP-1 | PDB:4RMC | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [29] |
| PDB Sequence |
EDMPVERILE
237 AELAVEPNDP264 VTNICQAADK274 QLFTLVEWAK284 RIPHFSELPL294 DDQVILLRAG 304 WNELLIASFS314 HRSIAVKDGI324 LLATGLHVHR334 NSAHSAGVGA344 IFDRVLTELV 354 SKMRDMQMDK364 TELGCLRAIV374 LFNPDSKGLS384 NPAEVEALRE394 KVYASLEAYC 404 KHKYPEQPGR414 FAKLLLRLPA424 LRSIGLKCLE434 HLFFFKLIGD444 TPIDTFLMEM 454 LEAP
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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 .3SV or .3SV2 or .3SV3 or :33SV;style chemicals stick;color identity;select .A:265 or .A:268 or .A:269 or .A:271 or .A:272 or .A:275 or .A:305 or .A:306 or .A:309 or .A:310 or .A:313 or .A:316 or .A:324 or .A:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436 or .A:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL265
4.634
ILE268
3.977
CYS269
4.676
ALA271
3.581
ALA272
3.354
GLN275
3.394
TRP305
3.413
ASN306
4.186
LEU309
4.214
ILE310
4.575
PHE313
3.303
ARG316
2.868
ILE324
3.226
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| References | Top | ||||
|---|---|---|---|---|---|
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| REF 5 | Regulation of RXR-RAR Heterodimers by RXR- and RAR-Specific Ligands and Their Combinations. Cells. 2019 Nov 5;8(11):1392. | ||||
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| REF 8 | Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers. J Med Chem. 2009 May 28;52(10):3150-8. | ||||
| REF 9 | Structural basis for retinoic X receptor repression on the tetramer. J Biol Chem. 2011 Jul 15;286(28):24593-8. | ||||
| REF 10 | A revisited version of the apo structure of the ligand-binding domain of the human nuclear receptor retinoic X receptor Alpha. Acta Crystallogr F Struct Biol Commun. 2019 Feb 1;75(Pt 2):98-104. | ||||
| REF 11 | A natural-product switch for a dynamic protein interface. Angew Chem Int Ed Engl. 2014 Jun 16;53(25):6443-8. | ||||
| REF 12 | Sulindac-derived RXRAlpha modulators inhibit cancer cell growth by binding to a novel site. Chem Biol. 2014 May 22;21(5):596-607. | ||||
| REF 13 | A structural view of nuclear hormone receptor: endocrine disruptor interactions. Cell Mol Life Sci. 2010 Apr;67(8):1219-37. | ||||
| REF 14 | 2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors. Endocrinology. 2023 Feb 11;164(4):bqad021. | ||||
| REF 15 | Modulation of nongenomic activation of PI3K signalling by tetramerization of N-terminally-cleaved RXRAlpha. Nat Commun. 2017 Jul 17;8:16066. | ||||
| REF 16 | Crystal structure of dimeric RXR-LBD complexed with NEt-3ME and TIF2 co-activator | ||||
| REF 17 | Crystal structure of dimeric RXRalpha-LBD complexed with partial agonist CBt-PMN and SRC1 | ||||
| REF 18 | Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers. J Med Chem. 2021 Jan 14;64(1):430-439. | ||||
| REF 19 | RXRa structure complexed with CU-6PMN and SRC1 peptide. | ||||
| REF 20 | Crystal structure of dimeric RXR-LBD complexed with full agonist NEt-3IB and TIF2 co-activator | ||||
| REF 21 | Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator | ||||
| REF 22 | Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function. Proc Natl Acad Sci U S A. 2007 Oct 30;104(44):17323-8. | ||||
| REF 23 | 9-cis-13,14-Dihydroretinoic Acid Is an Endogenous Retinoid Acting as RXR Ligand in Mice. PLoS Genet. 2015 Jun 1;11(6):e1005213. | ||||
| REF 24 | Designed Spiroketal Protein Modulation. Angew Chem Int Ed Engl. 2017 May 8;56(20):5480-5484. | ||||
| REF 25 | Molecular determinants of magnolol targeting both RXRAlpha and PPARGamma. PLoS One. 2011;6(11):e28253. | ||||
| REF 26 | Silicon analogues of the RXR-selective retinoid agonist SR11237 (BMS649): chemistry and biology. ChemMedChem. 2009 Jul;4(7):1143-52. | ||||
| REF 27 | Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode. J Mol Biol. 2011 Mar 18;407(1):13-20. | ||||
| REF 28 | A structural basis for constitutive activity in the human CAR/RXRalpha heterodimer. Mol Cell. 2004 Dec 22;16(6):919-28. | ||||
| REF 29 | Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers. J Med Chem. 2015 Oct 8;58(19):7763-74. | ||||
| REF 30 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity. J Med Chem. 2014 Jun 26;57(12):5370-80. | ||||
| REF 31 | Defining the communication between agonist and coactivator binding in the retinoid X receptor Alpha ligand binding domain. J Biol Chem. 2014 Jan 10;289(2):814-26. | ||||
| REF 32 | Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention. Bioorg Med Chem. 2014 Jan 1;22(1):178-85. | ||||
| REF 33 | (+)-Rutamarin as a dual inducer of both GLUT4 translocation and expression efficiently ameliorates glucose homeostasis in insulin-resistant mice. PLoS One. 2012;7(2):e31811. | ||||
| REF 34 | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics. J Med Chem. 2021 Apr 22;64(8):5123-5136. | ||||
| REF 35 | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization. ACS Chem Neurosci. 2017 Sep 20;8(9):2065-2077. | ||||
| REF 36 | A Novel Biphenyl-based Chemotype of Retinoid X Receptor Ligands Enables Subtype and Heterodimer Preferences. ACS Med Chem Lett. 2019 Aug 16;10(9):1346-1352. | ||||
| REF 37 | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation. J Med Chem. 2016 Feb 11;59(3):1232-8. | ||||
| REF 38 | Modulation of RXR-DNA complex assembly by DNA context. Mol Cell Endocrinol. 2019 Feb 5;481:44-52. | ||||
| REF 39 | Structure-based design of potent retinoid X receptor alpha agonists. J Med Chem. 2004 Apr 8;47(8):2010-29. | ||||
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