Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
RXRA_HUMAN
Ligand General Information  Top
Ligand Name Alitretinoin Ligand Info
Canonical SMILES CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI 1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
InChIKey SHGAZHPCJJPHSC-ZVCIMWCZSA-N
PubChem Compound ID 449171
Drug Binding Sites of Target  Top
PDB ID: 3DZY      Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with Rosiglitazone, 9-cis Retinoic Acid and NCOA2 Peptide
Method X-ray diffraction Resolution 3.10 Å Mutation No [1]
PDB Sequence
KHICAICGDR
141
SSGKHYGVYS
151
CEGCKGFFKR
161
TVRKDLTYTC
171
RDNKDCLIDK
181

RQRNRCQYCR
191
YQKCLAMGMK
201
REAVQEERQR
211
GKDRNENEVE
221
STSSANEDMP
231

VERILEAELA
241
PVTNICQAAD
273
KQLFTLVEWA
283
KRIPHFSELP
293
LDDQVILLRA
303

GWNELLIASF
313
SHRSIAVKDG
323
ILLATGLHVH
333
RNSAHSAGVG
343
AIFDRVLTEL
353

VSKMRDMQMD
363
KTELGCLRAI
373
VLFNPDSKGL
383
SNPAEVEALR
393
EKVYASLEAY
403

CKHKYPEQPG
413
RFAKLLLRLP
423
ALRSIGLKCL
433
EHLFFFKLIG
443
DTPIDTFLME
453

ML
Residue
Distance (Å)
VAL265
4.051
ILE268
3.452
ALA271
3.110
ALA272
4.334
GLN275
3.491
TRP305
4.148
ASN306
3.799
LEU309
4.070
ILE310
4.504
SER312
3.591
PHE313
3.291
Residue
Distance (Å)
ARG316
2.489
LEU326
3.765
ALA327
3.070
VAL342
3.941
ILE345
4.077
PHE346
3.974
VAL349
4.414
CYS432
3.695
HIS435
3.603
LEU436
3.639
PHE439
4.841
PDB ID: 3E00      Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with GW9662, 9-cis Retinoic Acid and NCOA2 Peptide
Method X-ray diffraction Resolution 3.10 Å Mutation No [1]
PDB Sequence
KHICAICGDR
141
SSGKHYGVYS
151
CEGCKGFFKR
161
TVRKDLTYTC
171
RDNKDCLIDK
181

RQRNRCQYCR
191
YQKCLAMGMK
201
REAVQEERQR
211
ANEDMPVERI
235
LEAELAVEVT
266

NICQAADKQL
276
FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316

SIAVKDGILL
326
ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366

LGCLRAIVLF
376
NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416

KLLLRLPALR
426
SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEML
Residue
Distance (Å)
VAL265
4.558
ILE268
3.541
CYS269
4.692
ALA271
3.073
ALA272
3.704
GLN275
3.267
TRP305
3.560
ASN306
3.834
LEU309
4.066
ILE310
4.195
PHE313
3.043
Residue
Distance (Å)
ARG316
2.465
LEU326
4.170
ALA327
3.011
VAL342
3.932
ILE345
3.749
PHE346
4.167
VAL349
4.628
CYS432
3.739
HIS435
3.574
LEU436
4.058
PHE439
4.822
PDB ID: 3DZU      Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide
Method X-ray diffraction Resolution 3.20 Å Mutation No [1]
PDB Sequence
KHICAICGDR
141
SSGKHYGVYS
151
CEGCKGFFKR
161
TVRKDLTYTC
171
RDNKDCLIDK
181

RQRNRCQYCR
191
YQKCLAMGMK
201
REAVQEERQR
211
ANEDMPVERI
235
LEAELADPVT
266

NICQAADKQL
276
FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316

SIAVKDGILL
326
ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366

LGCLRAIVLF
376
NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416

KLLLRLPALR
426
SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEML
Residue
Distance (Å)
VAL265
4.354
ILE268
3.431
CYS269
4.982
ALA271
3.538
ALA272
3.526
GLN275
3.191
ASN306
3.408
LEU309
4.176
ILE310
3.638
SER312
4.088
PHE313
3.328
ARG316
3.066
Residue
Distance (Å)
ILE324
4.804
LEU325
4.240
LEU326
2.853
ALA327
4.474
VAL342
3.933
ILE345
3.803
PHE346
4.295
VAL349
4.525
CYS432
3.439
HIS435
3.288
LEU436
3.766
PHE439
4.137
PDB ID: 4NQA      Crystal structure of liganded hRXR-alpha/hLXR-beta heterodimer on DNA
Method X-ray diffraction Resolution 3.10 Å Mutation No [2]
PDB Sequence
ASFTKHICAI
137
CGDRSSGKHY
147
GVYSCEGCKG
157
FFKRTVRKDL
167
TYTCRDNKDC
177

LIDKRQRNRC
187
QYCRYQKCLA
197
MGMKREAVQE
207
ERQRGSSANE
228
DMPVERILEA
238

ELAVEPKTET
248
YEANMGLNPS
259
SPNDPVTNIC
269
QAADKQLFTL
279
VEWAKRIPHF
289

SELPLDDQVI
299
LLRAGWNELL
309
IASFSHRSIA
319
VKDGILLATG
329
LHVHRNSAHS
339

AGVGAIFDRV
349
LTELVSKMRD
359
MQMDKTELGC
369
LRAIVLFNPD
379
SKGLSNPAEV
389

EALREKVYAS
399
LEAYCKHKYP
409
EQPGRFAKLL
419
LRLPALRSIG
429
LKCLEHLFFF
439

KLIGDTPIDT
449
FLMEMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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:342 or .A:345 or .A:346 or .A:349 or .A:432 or .A:435 or .A:436; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.377
ILE268
3.534
CYS269
4.610
ALA271
4.287
ALA272
3.743
GLN275
3.079
TRP305
4.187
ASN306
4.840
LEU309
4.022
ILE310
4.494
SER312
4.677
PHE313
3.223
Residue
Distance (Å)
ARG316
3.079
ILE324
4.537
LEU325
4.142
LEU326
3.717
ALA327
3.148
VAL342
3.742
ILE345
4.260
PHE346
4.491
VAL349
4.606
CYS432
3.160
HIS435
3.610
LEU436
3.888
PDB ID: 5UAN      Crystal structure of multi-domain RAR-beta-RXR-alpha heterodimer on DNA
Method X-ray diffraction Resolution 3.51 Å Mutation No [3]
PDB Sequence
HICAICGDRS
142
SGKHYGVYSC
152
EGCKGFFKRT
162
VRKDCLIDKR
182
QRNCQYCRYQ
193

KCLAMGMKRE
203
AVQEERANED
229
MPVERILEAE
239
LAVEPVTNIC
269
QAADKQLFTL
279

VEWAKRIPHF
289
SELPLDDQVI
299
LLRAGWNELL
309
IASFSHRSIA
319
VKDGILLATG
329

LHVHRNSAHS
339
AGVGAIFDRV
349
LTELVSKMRD
359
MQMDKTELGC
369
LRAIVLFNPD
379

SKGLSNPAEV
389
EALREKVYAS
399
LEAYCKHKYP
409
EQPGRFAKLL
419
LRLPALRSIG
429

LKCLEHLFFF
439
KLIGDTPIDT
449
FLMEMLEA
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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: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; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.778
ILE268
3.615
CYS269
4.495
ALA271
3.581
ALA272
3.491
GLN275
3.053
TRP305
3.488
ASN306
4.148
LEU309
3.491
ILE310
4.077
PHE313
3.067
Residue
Distance (Å)
ARG316
2.625
LEU325
3.588
LEU326
3.274
ALA327
3.424
VAL342
3.775
ILE345
4.362
PHE346
4.709
VAL349
4.508
CYS432
3.335
HIS435
4.464
LEU436
3.755
PDB ID: 3UVV      Crystal Structure of the ligand binding domains of the thyroid receptor:retinoid X receptor complexed with 3,3',5 triiodo-L-thyronine and 9-cis retinoic acid
Method X-ray diffraction Resolution 2.95 Å Mutation No [4]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
PNDPVTNICQ
270
AADKQLFTLV
280
EWAKRIPHFS
290

ELPLDDQVIL
300
LRAGWNELLI
310
ASFSHRSIAV
320
KDGILLATGL
330
HVHRNSAHSA
340

GVGAIFDRVL
350
TELVSKMRDM
360
QMDKTELGCL
370
RAIVLFNPDS
380
KGLSNPAEVE
390

ALREKVYASL
400
EAYCKHKYPE
410
QPGRFAKLLL
420
RLPALRSIGL
430
KCLEHLFFFK
440

LIGDTPIDTF
450
LMEMLEAP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;style chemicals stick;color identity;select .B:265 or .B:268 or .B:271 or .B:272 or .B:275 or .B:305 or .B:306 or .B:309 or .B:310 or .B:313 or .B:316 or .B:325 or .B:326 or .B:327 or .B:342 or .B:345 or .B:346 or .B:349 or .B:432 or .B:435 or .B:436 or .B:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.637
ILE268
3.530
ALA271
3.831
ALA272
3.952
GLN275
3.030
TRP305
4.024
ASN306
4.489
LEU309
3.994
ILE310
4.501
PHE313
3.465
ARG316
3.005
Residue
Distance (Å)
LEU325
4.215
LEU326
3.467
ALA327
3.037
VAL342
3.874
ILE345
3.566
PHE346
4.771
VAL349
4.852
CYS432
3.239
HIS435
4.067
LEU436
3.373
PHE439
3.973
PDB ID: 5JI0      PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
Method X-ray diffraction Resolution 1.98 Å Mutation Yes [5]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
ETYVENDPVT
266
NICQAADKQL
276
FTLVEWAKRI
286

PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326
ATGLHVHRNS
336

AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376
NPDSKGLSNP
386

AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426
FIGLKCLEHL
436

FFFKLIGDTT
449
FLMEML
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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: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
Residue
Distance (Å)
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
Residue
Distance (Å)
LEU325
4.078
LEU326
3.411
ALA327
2.958
VAL342
3.803
ILE345
4.226
PHE346
4.231
CYS432
2.554
HIS435
4.526
LEU436
3.450
PHE439
4.574
PDB ID: 1FBY      CRYSTAL STRUCTURE OF THE HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO 9-CIS RETINOIC ACID
Method X-ray diffraction Resolution 2.25 Å Mutation No [6]
PDB Sequence
SSANEDMPVE
233
RILEAELAVE
243
PDPVTNICQA
271
ADKQLFTLVE
281
WAKRIPHFSE
291

LPLDDQVILL
301
RAGWNELLIA
311
SFSHRSIAVK
321
DGILLATGLH
331
VHRNSAHSAG
341

VGAIFDRVLT
351
ELVSKMRDMQ
361
MDKTELGCLR
371
AIVLFNPDSK
381
GLSNPAEVEA
391

LREKVYASLE
401
AYCKHKYPEQ
411
PGRFAKLLLR
421
LPALRSIGLK
431
CLEHLFFFKL
441

IGDTPIDTFL
451
MEMLEAP
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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: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
Residue
Distance (Å)
VAL265
4.648
ILE268
3.594
CYS269
3.917
ALA271
3.411
ALA272
3.705
GLN275
3.530
TRP305
4.160
ASN306
4.165
LEU309
4.001
ILE310
4.357
PHE313
3.403
ARG316
2.613
Residue
Distance (Å)
LEU325
4.284
LEU326
3.292
ALA327
2.616
THR328
4.891
VAL342
3.894
ILE345
3.788
PHE346
4.657
VAL349
4.155
CYS432
3.637
HIS435
3.523
LEU436
4.023
PHE439
4.064
PDB ID: 1FM6      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 ROSIGLITAZONE AND CO-ACTIVATOR PEPTIDES.
Method X-ray diffraction Resolution 2.10 Å Mutation No [7]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
ETYVEANMGL
256
NPSSPNDPVT
266
NICQAADKQL
276

FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326

ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376

NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426

SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEMLE
456
AP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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: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
Residue
Distance (Å)
VAL265
4.304
ILE268
3.853
CYS269
4.365
ALA271
3.360
ALA272
3.940
GLN275
3.181
TRP305
3.576
ASN306
4.189
LEU309
4.079
ILE310
4.322
PHE313
3.174
ARG316
2.609
Residue
Distance (Å)
LEU325
4.478
LEU326
3.292
ALA327
2.572
THR328
4.754
VAL342
3.803
ILE345
3.865
PHE346
4.614
VAL349
4.849
CYS432
3.457
HIS435
3.555
LEU436
3.878
PHE439
4.464
PDB ID: 1FM9      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.
Method X-ray diffraction Resolution 2.10 Å Mutation No [7]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
ETYVEANMGL
256
NPSSPNDPVT
266
NICQAADKQL
276

FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326

ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376

NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426

SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEMLE
456
AP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 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
Residue
Distance (Å)
VAL265
4.006
ILE268
3.939
CYS269
4.421
ALA271
3.230
ALA272
3.742
GLN275
3.283
TRP305
3.631
ASN306
4.249
LEU309
3.859
ILE310
4.346
PHE313
3.248
ARG316
2.877
Residue
Distance (Å)
LEU325
4.703
LEU326
3.368
ALA327
2.743
THR328
4.762
VAL342
3.766
ILE345
3.975
PHE346
4.465
CYS432
3.301
HIS435
3.444
LEU436
3.308
PHE439
4.520
PDB ID: 6A5Y      Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1
Method X-ray diffraction Resolution 2.10 Å Mutation Yes [8]
PDB Sequence
EDMPVERILE
237
AELAVEDPVT
266
NICQAADKQL
276
FTLVEWAKRI
286
PHFSELPLDD
296

QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326
ATGLHVHRNS
336
AHSAGVGAIF
346

DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376
NPDSKGLSNP
386
AEVEALREKV
396

YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426
SIGLKCLEHL
436
FFFKLIGDTP
446

IDTFLMEMLE
456
A
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;style chemicals stick;color identity;select .D:265 or .D:268 or .D:269 or .D:271 or .D:272 or .D:275 or .D:305 or .D:306 or .D:309 or .D:310 or .D:313 or .D:316 or .D:325 or .D:326 or .D:327 or .D:328 or .D:342 or .D:345 or .D:349 or .D:432 or .D:435 or .D:436 or .D:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.622
ILE268
3.591
CYS269
4.216
ALA271
3.407
ALA272
3.707
GLN275
3.311
TRP305
3.601
ASN306
3.989
LEU309
4.019
ILE310
4.434
PHE313
3.428
ARG316
2.749
Residue
Distance (Å)
LEU325
4.748
LEU326
3.507
ALA327
2.856
THR328
4.945
VAL342
3.943
ILE345
3.589
VAL349
4.698
CYS432
3.532
HIS435
3.941
LEU436
3.791
PHE439
4.737
PDB ID: 1K74      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.
Method X-ray diffraction Resolution 2.30 Å Mutation No [9]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
ETYVEANMGL
256
NPSSPNDPVT
266
NICQAADKQL
276

FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326

ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376

NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426

SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEMLE
456
AP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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:325 or .A:326 or .A:327 or .A:328 or .A:342 or .A:345 or .A:346 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
Residue
Distance (Å)
VAL265
4.577
ILE268
3.142
ALA271
3.640
ALA272
3.451
GLN275
3.053
TRP305
3.638
ASN306
4.476
LEU309
3.969
ILE310
4.825
PHE313
3.367
ARG316
2.835
LEU325
4.227
Residue
Distance (Å)
LEU326
3.062
ALA327
2.643
THR328
4.939
VAL342
3.785
ILE345
3.876
PHE346
4.667
CYS432
3.256
LEU433
4.939
HIS435
3.652
LEU436
3.694
PHE439
3.848
PDB ID: 6A5Z      Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1
Method X-ray diffraction Resolution 2.95 Å Mutation Yes [8]
PDB Sequence
EDMPVERILE
237
AELAVEPNDP
264
VTNICQAADK
274
QLFTLVEWAK
284
RIPHFSELPL
294

DDQVILLRAG
304
WNELLIASFS
314
HRSIAVKDGI
324
LLATGLHVHR
334
NSAHSAGVGA
344

IFDRVLTELV
354
SKMRDMQMDK
364
TELGCLRAIV
374
LFNPDSKGLS
384
NPAEVEALRE
394

KVYASLEAYC
404
KHKYPEQPGR
414
FAKLLLRLPA
424
LRSIGLKCLE
434
HLFFFKLIGD
444

TPIDTFLMEM
454
LE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;style chemicals stick;color identity;select .D:265 or .D:268 or .D:269 or .D:271 or .D:272 or .D:275 or .D:305 or .D:306 or .D:309 or .D:310 or .D:313 or .D:316 or .D:325 or .D:326 or .D:327 or .D:342 or .D:345 or .D:346 or .D:349 or .D:432 or .D:435 or .D:436 or .D:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.218
ILE268
3.291
CYS269
4.822
ALA271
3.479
ALA272
3.611
GLN275
3.743
TRP305
4.180
ASN306
3.932
LEU309
4.324
ILE310
3.759
PHE313
3.415
ARG316
2.654
Residue
Distance (Å)
LEU325
4.475
LEU326
3.395
ALA327
2.900
VAL342
4.136
ILE345
3.847
PHE346
4.687
VAL349
4.521
CYS432
3.387
HIS435
3.878
LEU436
3.731
PHE439
4.264
PDB ID: 6A60      Crystal structure of human FXR/RXR-LBD heterodimer bound to GW4064 and 9cRA and SRC1
Method X-ray diffraction Resolution 3.05 Å Mutation Yes [8]
PDB Sequence
EDMPVERILE
237
AELAVDPVTN
267
ICQAADKQLF
277
TLVEWAKRIP
287
HFSELPLDDQ
297

VILLRAGWNE
307
LLIASFSHRS
317
IAVKDGILLA
327
TGLHVHRNSA
337
HSAGVGAIFD
347

RVLTELVSKM
357
RDMQMDKTEL
367
GCLRAIVLFN
377
PDSKGLSNPA
387
EVEALREKVY
397

ASLEAYCKHK
407
YPEQPGRFAK
417
LLLRLPALRS
427
IGLKCLEHLF
437
FFKLIGDTPI
447

DTFLMEMLEA
457
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;style chemicals stick;color identity;select .D:265 or .D:268 or .D:269 or .D:271 or .D:272 or .D:275 or .D:305 or .D:306 or .D:309 or .D:310 or .D:312 or .D:313 or .D:316 or .D:325 or .D:326 or .D:327 or .D:342 or .D:345 or .D:346 or .D:349 or .D:432 or .D:435 or .D:436 or .D:439; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
VAL265
4.615
ILE268
3.356
CYS269
4.548
ALA271
3.622
ALA272
3.764
GLN275
3.593
TRP305
4.283
ASN306
4.222
LEU309
3.608
ILE310
3.974
SER312
4.763
PHE313
3.502
Residue
Distance (Å)
ARG316
2.663
LEU325
4.808
LEU326
3.993
ALA327
2.900
VAL342
4.101
ILE345
3.628
PHE346
4.547
VAL349
4.552
CYS432
3.359
HIS435
3.810
LEU436
3.991
PHE439
4.178
PDB ID: 1XLS      Crystal structure of the mouse CAR/RXR LBD heterodimer bound to TCPOBOP and 9cRA and a TIF2 peptide containg the third LXXLL motifs
Method X-ray diffraction Resolution 2.96 Å Mutation No [10]
PDB Sequence
NEDMPVERIL
236
EAELAVEPKT
246
ETYVEANMGL
256
NPSSPNDPVT
266
NICQAADKQL
276

FTLVEWAKRI
286
PHFSELPLDD
296
QVILLRAGWN
306
ELLIASFSHR
316
SIAVKDGILL
326

ATGLHVHRNS
336
AHSAGVGAIF
346
DRVLTELVSK
356
MRDMQMDKTE
366
LGCLRAIVLF
376

NPDSKGLSNP
386
AEVEALREKV
396
YASLEAYCKH
406
KYPEQPGRFA
416
KLLLRLPALR
426

SIGLKCLEHL
436
FFFKLIGDTP
446
IDTFLMEMLE
456
AP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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
Residue
Distance (Å)
VAL265
4.361
ILE268
3.654
CYS269
4.578
ALA271
3.635
ALA272
3.533
GLN275
3.457
TRP305
3.687
ASN306
4.193
LEU309
3.691
ILE310
4.651
PHE313
3.290
ARG316
2.632
ILE324
4.946
Residue
Distance (Å)
LEU325
4.626
LEU326
3.355
ALA327
2.759
THR328
4.961
VAL342
3.747
ILE345
4.095
PHE346
4.254
VAL349
4.369
CYS432
3.702
HIS435
3.499
LEU436
3.659
PHE439
4.609
PDB ID: 3OAP      Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1
Method X-ray diffraction Resolution 2.05 Å Mutation No [11]
PDB Sequence
EDMPVERILE
237
AELAVEPNDP
264
VTNICQAADK
274
QLFTLVEWAK
284
RIPHFSELPL
294

DDQVILLRAG
304
WNELLIASFS
314
HRSIAVKDGI
324
LLATGLHVHR
334
NSAHSAGVGA
344

IFDRVLTELV
354
SKMRDMQMDK
364
TELGCLRAIV
374
LFNPDSKGLS
384
NPAEVEALRE
394

KVYASLEAYC
404
KHKYPEQPGR
414
FAKLLLRLPA
424
LRSIGLKCLE
434
HLFFFKLIGD
444

TPIDTFLMEM
454
LEAP
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;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: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
Residue
Distance (Å)
VAL265
4.979
ILE268
3.266
ALA271
3.438
ALA272
3.665
GLN275
3.240
TRP305
4.110
ASN306
4.807
LEU309
3.995
ILE310
4.836
PHE313
3.269
ARG316
2.993
Residue
Distance (Å)
ILE324
4.853
LEU325
4.643
LEU326
3.480
ALA327
3.056
VAL342
3.923
ILE345
3.529
PHE346
4.609
CYS432
2.964
HIS435
3.636
LEU436
3.534
PHE439
4.029
PDB ID: 5Z12      A structure of FXR/RXR
Method X-ray diffraction Resolution 2.75 Å Mutation No [12]
PDB Sequence
ERILEAELAV
242
EPVTNICQAA
272
DKQLFTLVEW
282
AKRIPHFSEL
292
PLDDQVILLR
302

AGWNELLIAS
312
FSHRSIAVKD
322
GILLATGLHV
332
HRNSAHSAGV
342
GAIFDRVLTE
352

LVSKMRDMQM
362
DKTELGCLRA
372
IVLFNPDSKG
382
LSNPAEVEAL
392
REKVYASLEA
402

YCKHKYPEQP
412
GRFAKLLLRL
422
PALRSIGLKC
432
LEHLFFFKLI
442
GDTPIDTFLM
452

EML
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9CR or .9CR2 or .9CR3 or :39CR;style chemicals stick;color identity;select .C:268 or .C:269 or .C:271 or .C:272 or .C:275 or .C:305 or .C:306 or .C:309 or .C:310 or .C:312 or .C:313 or .C:316 or .C:324 or .C:325 or .C:326 or .C:327 or .C:342 or .C:345 or .C:346 or .C:349 or .C:432 or .C:435 or .C:436 or .C:439; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ILE268
3.395
CYS269
4.757
ALA271
3.786
ALA272
3.634
GLN275
3.205
TRP305
3.854
ASN306
4.394
LEU309
4.041
ILE310
4.163
SER312
4.206
PHE313
3.603
ARG316
2.636
Residue
Distance (Å)
ILE324
4.606
LEU325
4.425
LEU326
3.612
ALA327
2.869
VAL342
3.080
ILE345
3.871
PHE346
4.711
VAL349
4.477
CYS432
3.593
HIS435
4.818
LEU436
3.447
PHE439
4.784
References  Top
REF 1 Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature. 2008 Nov 20;456(7220):350-6.
REF 2 Structure of the retinoid X receptor Alpha-liver X receptor beta (RXRAlpha-LXRbeta) heterodimer on DNA. Nat Struct Mol Biol. 2014 Mar;21(3):277-81.
REF 3 The quaternary architecture of RARbeta-RXRAlpha heterodimer facilitates domain-domain signal transmission. Nat Commun. 2017 Oct 11;8(1):868.
REF 4 Structural basis for negative cooperativity within agonist-bound TR:RXR heterodimers. Proc Natl Acad Sci U S A. 2012 Apr 17;109(16):6084-7.
REF 5 PPARgamma-RXRalpha(S427F) heterodimer in complex with SRC-1, rosiglitazone, and 9-cis-retanoic acid
REF 6 Crystal structure of the human RXRalpha ligand-binding domain bound to its natural ligand: 9-cis retinoic acid. EMBO J. 2000 Jun 1;19(11):2592-601.
REF 7 Asymmetry in the PPARgamma/RXRalpha crystal structure reveals the molecular basis of heterodimerization among nuclear receptors. Mol Cell. 2000 Mar;5(3):545-55.
REF 8 Ligand binding and heterodimerization with retinoid X receptor Alpha (RXRAlpha) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding. J Biol Chem. 2018 Nov 23;293(47):18180-18191.
REF 9 Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors. Proc Natl Acad Sci U S A. 2001 Nov 20;98(24):13919-24.
REF 10 The nuclear xenobiotic receptor CAR: structural determinants of constitutive activation and heterodimerization. Mol Cell. 2004 Dec 22;16(6):893-905.
REF 11 Structure, energetics, and dynamics of binding coactivator peptide to the human retinoid X receptor Alpha ligand binding domain complex with 9-cis-retinoic acid. Biochemistry. 2011 Jan 11;50(1):93-105.
REF 12 Structural insights into the heterodimeric complex of the nuclear receptors FXR and RXR. J Biol Chem. 2018 Aug 10;293(32):12535-12541.

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