Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T82146 Target Info
Target Name Retinoic acid receptor gamma (RARG)
Synonyms RAR-gamma; Nuclear receptor subfamily 1 group B member 3; NR1B3
Target Type Successful Target
Gene Name RARG
Biochemical Class Nuclear hormone receptor
UniProt ID
RARG_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Tretinoin Ligand Info
Structure Description LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO ALL-TRANS RETINOIC ACID PDB:2LBD
Method X-ray diffraction Resolution 2.06 Å Mutation No [1]
PDB Sequence
LSPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPS
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLENP
Residue
Distance (Å)
PHE201
3.327
TRP227
4.401
PHE230
3.381
LEU233
4.016
ALA234
4.364
CYS237
3.841
LEU268
4.051
LEU271
3.575
MET272
3.694
ARG274
3.700
ILE275
3.162
ARG278
2.219
THR287
4.946
PHE288
3.325
Residue
Distance (Å)
SER289
1.762
ASP290
4.250
GLY303
4.021
PHE304
3.861
LEU307
4.395
GLY393
3.580
ARG396
4.127
ALA397
4.041
LEU400
3.440
MET408
4.326
ILE412
4.142
MET415
4.099
LEU416
4.733
Ligand Name: Alitretinoin Ligand Info
Structure Description RARg mutant-S371E PDB:5M24
Method X-ray diffraction Resolution 1.69 Å Mutation Yes [2]
PDB Sequence
LSPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPE
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLE
Residue
Distance (Å)
PHE201
4.880
TRP227
3.942
PHE230
3.399
LEU233
3.811
ALA234
3.585
CYS237
4.131
LEU268
3.795
LEU271
3.565
MET272
3.665
ARG274
4.957
ILE275
3.771
ARG278
2.797
THR287
4.728
Residue
Distance (Å)
PHE288
3.475
SER289
2.692
GLY303
4.431
PHE304
3.777
LEU307
4.406
GLY393
3.529
ARG396
4.870
ALA397
4.213
LEU400
3.596
MET408
4.373
ILE412
3.800
MET415
4.016
LEU416
4.526
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: PMID27336223-Compound-12 Ligand Info
Structure Description Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne PDB:6FX0
Method X-ray diffraction Resolution 1.90 Å Mutation No [3]
PDB Sequence
YELSPQLEEL
189
ITKVSKAHQE
199
TFPSLCQLGK
209
YTTNSSADHR
219
VQLDLGLWDK
229

FSELATKCII
239
KIVEFAKRLP
249
GFTGLSIADQ
259
ITLLKAACLD
269
ILMLRICTRY
279

TPEQDTMTFS
289
DGLTLNRTQM
299
HNAGFGPLTD
309
LVFAFAGQLL
319
PLEMDDTETG
329

LLSAICLICG
339
DRMDLEEPEK
349
VDKLQEPLLE
359
ALRLYARRRR
369
PSQPYMFPRM
379

LMKITDLRGI
389
STKGAERAIT
399
LKMEIPGPMP
409
PLIREMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E9T or .E9T2 or .E9T3 or :3E9T;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:287 or .A:288 or .A:289 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.342
TRP227
3.738
PHE230
3.462
LEU233
3.879
ALA234
3.569
CYS237
3.629
LEU268
3.528
LEU271
3.426
MET272
3.618
ARG274
4.134
ILE275
3.627
ARG278
2.908
THR287
4.818
Residue
Distance (Å)
PHE288
3.422
SER289
2.679
GLY303
4.245
PHE304
3.507
LEU307
4.094
GLY393
3.523
ARG396
4.091
ALA397
3.760
LEU400
3.564
MET408
4.455
ILE412
3.890
MET415
4.513
LEU416
4.096
Ligand Name: BMS270394 Ligand Info
Structure Description ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394. PDB:1EXA
Method X-ray diffraction Resolution 1.59 Å Mutation No [4]
PDB Sequence
LSPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPS
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .394 or .3942 or .3943 or :3394;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.443
TRP227
4.227
PHE230
3.166
LEU233
3.898
ALA234
3.348
CYS237
3.634
LEU268
4.001
LEU271
3.131
MET272
3.172
ARG274
4.010
ILE275
3.510
ARG278
3.179
PHE288
3.433
Residue
Distance (Å)
SER289
2.464
GLY303
3.741
PHE304
3.389
LEU307
3.795
GLY393
3.870
ARG396
4.307
ALA397
4.194
LEU400
3.817
MET408
4.485
ILE412
3.816
MET415
3.893
LEU416
4.186
Ligand Name: CD564 Ligand Info
Structure Description ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 PDB:1FCY
Method X-ray diffraction Resolution 1.30 Å Mutation No [5]
PDB Sequence
ASPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPS
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .564 or .5642 or .5643 or :3564;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:290 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.417
TRP227
3.738
PHE230
3.578
LEU233
3.945
ALA234
3.651
CYS237
3.664
LEU268
4.050
LEU271
3.295
MET272
3.292
ARG274
4.037
ILE275
3.557
ARG278
3.611
PHE288
3.352
Residue
Distance (Å)
SER289
2.463
ASP290
4.932
GLY303
3.659
PHE304
3.375
LEU307
4.094
GLY393
3.681
ARG396
4.199
ALA397
4.088
LEU400
3.661
MET408
4.101
ILE412
3.819
MET415
3.956
LEU416
3.924
Ligand Name: Dodecyl-Alpha-D-Maltoside Ligand Info
Structure Description ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 PDB:1FCY
Method X-ray diffraction Resolution 1.30 Å Mutation No [5]
PDB Sequence
ASPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPS
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LMU or .LMU2 or .LMU3 or :3LMU;style chemicals stick;color identity;select .A:236 or .A:238 or .A:239 or .A:240 or .A:242 or .A:243 or .A:260 or .A:263 or .A:264 or .A:267 or .A:411 or .A:414 or .A:415; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LYS236
4.167
ILE238
4.103
ILE239
3.945
LYS240
2.628
VAL242
4.074
GLU243
2.748
ILE260
4.797
Residue
Distance (Å)
LEU263
3.499
LYS264
4.040
CYS267
3.338
LEU411
3.847
GLU414
3.886
MET415
3.531
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: SR11254 Ligand Info
Structure Description ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 PDB:1FD0
Method X-ray diffraction Resolution 1.38 Å Mutation No [6]
PDB Sequence
SPQLEELITK
192
VSKAHQETFP
202
SLCQLGKYTT
212
NSSADHRVQL
222
DLGLWDKFSE
232

LATKCIIKIV
242
EFAKRLPGFT
252
GLSIADQITL
262
LKAACLDILM
272
LRICTRYTPE
282

QDTMTFSDGL
292
TLNRTQMHNA
302
GFGPLTDLVF
312
AFAGQLLPLE
322
MDDTETGLLS
332

AICLICGDRM
342
DLEEPEKVDK
352
LQEPLLEALR
362
LYARRRRPSQ
372
PYMFPRMLMK
382

ITDLRGISTK
392
GAERAITLKM
402
EIPGPMPPLI
412
REMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .254 or .2542 or .2543 or :3254;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.370
TRP227
3.825
PHE230
3.533
LEU233
3.997
ALA234
3.688
CYS237
3.655
LEU268
3.984
LEU271
3.390
MET272
3.484
ARG274
4.116
ILE275
3.190
ARG278
3.287
PHE288
3.324
Residue
Distance (Å)
SER289
2.409
GLY303
3.617
PHE304
3.472
LEU307
4.064
GLY393
3.755
ARG396
4.244
ALA397
3.940
LEU400
3.612
MET408
4.169
ILE412
3.668
MET415
3.912
LEU416
3.917
Ligand Name: BMS184394 Ligand Info
Structure Description ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID BMS184394 PDB:1FCX
Method X-ray diffraction Resolution 1.47 Å Mutation No [5]
PDB Sequence
SPQLEELITK
192
VSKAHQETFP
202
SLCQLGKYTT
212
NSSADHRVQL
222
DLGLWDKFSE
232

LATKCIIKIV
242
EFAKRLPGFT
252
GLSIADQITL
262
LKAACLDILM
272
LRICTRYTPE
282

QDTMTFSDGL
292
TLNRTQMHNA
302
GFGPLTDLVF
312
AFAGQLLPLE
322
MDDTETGLLS
332

AICLICGDRM
342
DLEEPEKVDK
352
LQEPLLEALR
362
LYARRRRPSQ
372
PYMFPRMLMK
382

ITDLRGISTK
392
GAERAITLKM
402
EIPGPMPPLI
412
REMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .184 or .1842 or .1843 or :3184;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:290 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.526
TRP227
3.833
PHE230
3.531
LEU233
3.945
ALA234
3.709
CYS237
3.632
LEU268
3.867
LEU271
3.349
MET272
3.288
ARG274
4.113
ILE275
3.480
ARG278
3.847
PHE288
3.434
Residue
Distance (Å)
SER289
2.468
ASP290
4.995
GLY303
3.666
PHE304
3.800
LEU307
4.070
GLY393
3.773
ARG396
4.221
ALA397
4.083
LEU400
3.688
MET408
4.147
ILE412
3.698
MET415
3.978
LEU416
3.929
Ligand Name: 3-Fluoro-4-[2-hydroxy-2-(5,5,8,8-tetramethyl-5,6,7,8,-tetrahydro-naphtalen-2-YL)-acetylamino]-benzoic acid Ligand Info
Structure Description ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE INACTIVE S-ENANTIOMER BMS270395. PDB:1EXX
Method X-ray diffraction Resolution 1.67 Å Mutation No [4]
PDB Sequence
LSPQLEELIT
191
KVSKAHQETF
201
PSLCQLGKYT
211
TNSSADHRVQ
221
LDLGLWDKFS
231

ELATKCIIKI
241
VEFAKRLPGF
251
TGLSIADQIT
261
LLKAACLDIL
271
MLRICTRYTP
281

EQDTMTFSDG
291
LTLNRTQMHN
301
AGFGPLTDLV
311
FAFAGQLLPL
321
EMDDTETGLL
331

SAICLICGDR
341
MDLEEPEKVD
351
KLQEPLLEAL
361
RLYARRRRPS
371
QPYMFPRMLM
381

KITDLRGIST
391
KGAERAITLK
401
MEIPGPMPPL
411
IREMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .961 or .9612 or .9613 or :3961;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.224
TRP227
4.305
PHE230
3.106
LEU233
3.835
ALA234
3.193
CYS237
3.713
LEU268
3.740
LEU271
3.405
MET272
3.186
ARG274
4.440
ILE275
3.547
ARG278
3.400
PHE288
3.399
Residue
Distance (Å)
SER289
2.513
GLY303
3.642
PHE304
3.385
LEU307
3.692
GLY393
3.779
ARG396
3.786
ALA397
4.084
LEU400
4.090
MET408
4.284
ILE412
3.851
MET415
4.226
LEU416
4.025
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: 4-[3-Oxo-3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-YL)-propenyl]-benzoic acid Ligand Info
Structure Description ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE PANAGONIST RETINOID BMS181156 PDB:1FCZ
Method X-ray diffraction Resolution 1.38 Å Mutation No [5]
PDB Sequence
SPQLEELITK
192
VSKAHQETFP
202
SLCQLGKYTT
212
NSSADHRVQL
222
DLGLWDKFSE
232

LATKCIIKIV
242
EFAKRLPGFT
252
GLSIADQITL
262
LKAACLDILM
272
LRICTRYTPE
282

QDTMTFSDGL
292
TLNRTQMHNA
302
GFGPLTDLVF
312
AFAGQLLPLE
322
MDDTETGLLS
332

AICLICGDRM
342
DLEEPEKVDK
352
LQEPLLEALR
362
LYARRRRPSQ
372
PYMFPRMLMK
382

ITDLRGISTK
392
GAERAITLKM
402
EIPGPMPPLI
412
REMLE
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .156 or .1562 or .1563 or :3156;style chemicals stick;color identity;select .A:201 or .A:227 or .A:230 or .A:233 or .A:234 or .A:237 or .A:268 or .A:271 or .A:272 or .A:274 or .A:275 or .A:278 or .A:288 or .A:289 or .A:290 or .A:303 or .A:304 or .A:307 or .A:393 or .A:396 or .A:397 or .A:400 or .A:408 or .A:412 or .A:415 or .A:416; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
PHE201
3.035
TRP227
4.004
PHE230
3.701
LEU233
3.734
ALA234
3.624
CYS237
3.768
LEU268
3.576
LEU271
3.433
MET272
3.214
ARG274
4.470
ILE275
3.616
ARG278
3.439
PHE288
3.444
Residue
Distance (Å)
SER289
2.495
ASP290
4.955
GLY303
3.770
PHE304
3.358
LEU307
3.906
GLY393
3.762
ARG396
4.334
ALA397
3.992
LEU400
3.682
MET408
4.402
ILE412
3.764
MET415
4.036
LEU416
3.942
References  Top
REF 1 Crystal structure of the RAR-gamma ligand-binding domain bound to all-trans retinoic acid. Nature. 1995 Dec 14;378(6558):681-9.
REF 2 Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid ReceptorGamma. PLoS One. 2017 Jan 26;12(1):e0171043.
REF 3 Structure-based design of Trifarotene (CD5789), a potent and selective RARGamma agonist for the treatment of acne. Bioorg Med Chem Lett. 2018 Jun 1;28(10):1736-1741.
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