Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Pentadecanoic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCCCCCCCC(=O)O | ||||
| InChI | 1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17) | ||||
| InChIKey | WQEPLUUGTLDZJY-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 13849 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1XVP crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 1XV9 crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid, and 5b-pregnane-3,20-dione. | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
ILE268
2.646
ALA271
3.055
ALA272
2.772
GLN275
3.280
TRP305
3.817
ASN306
4.141
LEU309
3.081
ILE310
3.687
SER312
4.415
PHE313
2.751
ARG316
2.678
ILE324
4.282
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A structural basis for constitutive activity in the human CAR/RXRalpha heterodimer. Mol Cell. 2004 Dec 22;16(6):919-28. | ||||
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