Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T13714 | Target Info | |||
| Target Name | Oxysterols receptor LXR-beta (NR1H2) | ||||
| Synonyms | Ubiquitously-expressed nuclear receptor; Nuclear receptor subfamily 1 group H member 2; Nuclear receptor NER; Nuclear orphan receptor LXR-beta; NER; Liver X receptor beta; LXRbeta; LXRB | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | NR1H2 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | T0901317 | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O | ||||
| InChI | 1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | ||||
| InChIKey | SGIWFELWJPNFDH-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 447912 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1UPV Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
QLTAAQELMI
228 QQLVAAQLQV249 TPWPLGADPQ259 SRDARQQRFA269 HFTELAIISV279 QEIVDFAKQV 289 PGFLQLGRED299 QIALLKASTI309 EIMLLETARR319 YNHETECITF329 LKDFTYSKDD 339 FHRAGLQVEF349 INPIFEFSRA359 MRRLGLDDAE369 YALLIAINIF379 SADRPNVQEP 389 GRVEALQQPY399 VEALLSYTRI409 KRPQDQLRFP419 RMLMKLVSLR429 TLSSVHSEQV 439 FALRLQDKKL449 PPLLSEIWDV459 HE
|
|||||
|
|
PHE268
3.591
PHE271
3.221
THR272
3.888
LEU274
3.001
ALA275
3.482
ILE309
3.688
MET312
2.832
LEU313
2.959
THR316
2.441
ILE327
3.308
PHE329
4.450
TYR335
4.325
|
|||||
| PDB ID: 1UPW Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
QLTAAQELMI
228 QQLVAAQLQV249 TPWPLGADPQ259 SRDARQQRFA269 HFTELAIISV279 QEIVDFAKQV 289 PGFLQLGRED299 QIALLKASTI309 EIMLLETARR319 YNHETECITF329 LKDFTYSKDD 339 FHRAGLQVEF349 INPIFEFSRA359 MRRLGLDDAE369 YALLIAINIF379 SADRPNVQEP 389 GRVEALQQPY399 VEALLSYTRI409 KRPQDQLRFP419 RMLMKLVSLR429 TLSSVHSEQV 439 FALRLQDKKL449 PPLLSEIWDV459 HE
|
|||||
|
|
PHE268
3.678
PHE271
3.213
THR272
3.801
LEU274
3.095
ALA275
3.529
ILE309
3.882
MET312
2.346
LEU313
3.008
THR316
2.525
ILE327
3.388
PHE329
4.182
TYR335
4.348
|
|||||
| PDB ID: 1PQC HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
LTAAQELMIQ
229 QLVAAQLQCN239 KRSFSDQPKV249 TPWPRDARQQ266 RFAHFTELAI276 ISVQEIVDFA 286 KQVPGFLQLG296 REDQIALLKA306 STIEIMLLET316 ARRYNHETEC326 ITFLKDFTYS 336 KDDFHRAGLQ346 VEFINPIFEF356 SRAMRRLGLD366 DAEYALLIAI376 NIFSADRPNV 386 QEPGRVEALQ396 QPYVEALLSY406 TRIKRPQDQL416 RFPRMLMKLV426 SLRTLSSVHS 436 EQVFALRLQD446 KKLPPLLSEI456 WD
|
|||||
|
|
PHE268
3.720
PHE271
3.392
THR272
3.679
LEU274
4.039
ALA275
3.255
SER278
4.133
ILE309
3.769
MET312
2.987
LEU313
3.767
THR316
3.406
ARG319
4.747
ILE327
4.678
PHE329
3.371
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the human liver X receptor beta ligand-binding domain in complex with a synthetic agonist. J Mol Biol. 2003 Dec 12;334(5):853-61. | ||||
| REF 2 | The three-dimensional structure of the liver X receptor beta reveals a flexible ligand-binding pocket that can accommodate fundamentally different ligands. J Biol Chem. 2003 Oct 3;278(40):38821-8. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.