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 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
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: 3LBD      LIGAND-BINDING DOMAIN OF THE HUMAN RETINOIC ACID RECEPTOR GAMMA BOUND TO 9-CIS RETINOIC ACID
Method X-ray diffraction Resolution 2.40 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
IREMLEN
Residue
Distance (Å)
PHE201
3.820
TRP227
4.071
PHE230
3.793
LEU233
3.687
ALA234
3.379
CYS237
4.122
LEU268
3.863
LEU271
3.584
MET272
3.377
ILE275
3.428
ARG278
3.050
THR287
4.565
PHE288
3.616
Residue
Distance (Å)
SER289
2.878
GLY303
4.411
PHE304
3.549
LEU307
4.907
GLY393
3.259
ALA394
4.690
ARG396
4.637
ALA397
3.920
LEU400
3.738
MET408
4.041
ILE412
3.624
MET415
4.100
LEU416
4.840
PDB ID: 5M24      RARg mutant-S371E
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
References  Top
REF 1 Conformational adaptation of agonists to the human nuclear receptor RAR gamma. Nat Struct Biol. 1998 Mar;5(3):199-202.
REF 2 Allosteric Regulation in the Ligand Binding Domain of Retinoic Acid ReceptorGamma. PLoS One. 2017 Jan 26;12(1):e0171043.

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