Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T72841 | Target Info | |||
| Target Name | Estrogen-related receptor-alpha (ESRRA) | ||||
| Synonyms | Nuclear receptor subfamily 3 group B member 1; NR3B1; Estrogen-relatedreceptor, alpha; Estrogen-relatedreceptor alpha; Estrogen-related receptor alpha; Estrogen receptor-like 1; ESRL1; ERRalpha; ERR1; ERR-alpha | ||||
| Target Type | Successful Target | ||||
| Gene Name | ESRRA | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PMID17556356C1a | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Estrogen-Related Receptor alpha in Complex with a Synthetic Inverse Agonist reveals its Novel Molecular Mechanism | PDB:2PJL | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
LEVLFQGPVN
291 ALVSHLLVVE301 PEKLYAMLPA320 VATLSDLFDR330 EIVVTISWAK340 SIPGFSSLSL 350 SDQMSVLQSV360 WMEVLVLGVA370 QRSLPLQDEL380 AFAEDLVLDE390 EGARAAGLGE 400 LGAALLQLVR410 RLQALRLERE420 EYVLLKALAL430 ANSDSVHIED440 AEAVEQLREA 450 LHEALLEYEA460 GRRRAGRLLL479 TLPLLRQTAG489 KVLAHFYGVK499 LEGKVPMHKL 509 FLEMLEAM
|
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VAL321
3.679
LEU324
3.654
SER325
4.409
LEU327
4.129
PHE328
3.803
GLU331
2.686
MET362
4.178
LEU365
4.161
VAL366
3.896
VAL369
4.011
PHE382
3.629
|
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| Ligand Name: 4-(4-{[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl}-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile | Ligand Info | |||||
| Structure Description | Estrogen Related Receptor alpha in Complex with an Ether Based Ligand | PDB:3K6P | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
HHLEVLFQGP
289 VNALVSHLLV299 VEPEKLYAMP309 HLPAVATLCD326 LFDREIVVTI336 SWAKSIPGFS 346 SLSLSDQMSV356 LQSVWMEVLV366 LGVAQRSLPL376 QDELAFAEDL386 VLDEEGARAA 396 GLGELGAALL406 QLVRRLQALR416 LEREEYVLLK426 ALALANSDSV436 HIEDAEAVEQ 446 LREALHEALL456 EYEAGRGGAE470 RRAGRLLLTL481 PLLRQTAGKV491 LAHFYGVLEG 502 KVPMHKLFLE512 MLEAMM
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VAL321
4.145
LEU324
3.253
CYS325
2.333
LEU327
3.802
PHE328
3.158
GLU331
3.324
MET362
4.413
LEU365
3.824
VAL366
4.292
VAL369
3.662
ARG372
3.225
|
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| Ligand Name: 1-[4-(3-Tert-butyl-4-oxidanyl-phenoxy)phenyl]ethanone | Ligand Info | |||||
| Structure Description | Crystal structure of the Estrogen-Related Receptor alpha (ERRalpha) ligand-binding domain (LBD) in complex with an agonist DS45500853 and a PGC-1alpha peptide | PDB:7E2E | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [3] |
| PDB Sequence |
FVNALVSHLL
298 VVEPEKLYAM308 PDHLPAVATL324 CDLFDREIVV334 TISWAKSIPG344 FSSLSLSDQM 354 SVLQSVWMEV364 LVLGVAQRSL374 PLQDELAFAE384 DLVLDEEGAR394 AAGLGELGAA 404 LLQLVRRLQA414 LRLEREEYVL424 LKALALANSD434 SVHIEDAEAV444 EQLREALHEA 454 LLEYEAGRRR473 AGRLLLTLPL483 LRQTAGKVLA493 HFYGVKLEGK503 VPMHKLFLEM 513 LEAMMD
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism. J Biol Chem. 2007 Aug 10;282(32):23231-9. | ||||
| REF 2 | Development of Diaryl Ether based ligands for Estrogen Related Receptor alpha as Potential Anti-Diabetic Agents. | ||||
| REF 3 | Discovery of a Novel Class of ERRAlpha Agonists. ACS Med Chem Lett. 2021 Apr 21;12(5):817-821. | ||||
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