Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T36557 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor delta (PPARD) | ||||
| Synonyms | Peroxisomeproliferator-activated receptor beta; Peroxisomeproliferator activated receptor beta/delta; Peroxisome proliferator-activated receptor beta; PPARdelta; PPARB; PPAR-delta; PPAR-beta; Nuclear receptor subfamily 1 group C member 2; Nuclear hormone receptor 1; NUCI; NUC1; NR1C2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PPARD | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | S,S-(2-Hydroxyethyl)Thiocysteine | Ligand Info | |||
| Canonical SMILES | C(CSSCC(C(=O)O)N)O | ||||
| InChI | 1S/C5H11NO3S2/c6-4(5(8)9)3-11-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1 | ||||
| InChIKey | YPUBRSXDQSFQBA-BYPYZUCNSA-N | ||||
| PubChem Compound ID | 170018 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5U3T Human PPARdelta ligand-binding domain in complexed with specific agonist 4 | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKASHTA209 PFVIHDIETL219 WQAEKGLVWK 229 QLVNGLPPYK239 EISVHVFYRC249 QTTVETVREL260 TEFAKSIPSF270 SSLFLNDQVT 280 LLKYGVHEAI290 FAMLASIVNK300 DGLLVANGSG310 FVTREFLRSL320 RKPFSDIIEP 330 KFEFAVKFNA340 LELDDSDLAL350 FIAAIILCGD360 RPGLMNVPRV370 EAIQDTILRA 380 LEFHLQANHP390 DAQYLFPKLL400 QKMADLRQLV410 TEHAQMMQRI420 KKTETETSLH 430 PLLQEIYKDM440
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| PDB ID: 5U3W Human PPARdelta ligand-binding domain in complexed with specific agonist 7 | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
PQVADLKAFS
179 KHIYNAYLKN189 FNMTKKKARS199 ILTGKAPFVI213 HDIETLWQAE223 KGLVWKQLVN 233 GLPPYKEISV243 HVFYRCQTTV254 ETVRELTEFA264 KSIPSFSSLF274 LNDQVTLLKY 284 GVHEAIFAML294 ASIVNKDGLL304 VANGSGFVTR314 EFLRSLRKPF324 SDIIEPKFEF 334 AVKFNALELD344 DSDLALFIAA354 IILCGDRPGL364 MNVPRVEAIQ374 DTILRALEFH 384 LQANHPDAQY394 LFPKLLQKMA404 DLRQLVTEHA414 QMMQRIKKTE424 TETSLHPLLQ 434 EIYKDM
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| PDB ID: 5U3V Human PPARdelta ligand-binding domain in complexed with specific agonist 6 | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [1] |
| PDB Sequence |
ADLKAFSKHI
182 YNAYLKNFNM192 TKKKARSILT202 APFVIHDIET218 LWQAEKGLVW228 KQLVNGLPPY 238 KEISVHVFYR248 CQTTVETVRE259 LTEFAKSIPS269 FSSLFLNDQV279 TLLKYGVHEA 289 IFAMLASIVN299 KDGLLVANGS309 GFVTREFLRS319 LRKPFSDIIE329 PKFEFAVKFN 339 ALELDDSDLA349 LFIAAIILCG359 DRPGLMNVPR369 VEAIQDTILR379 ALEFHLQANH 389 PDAQYLFPKL399 LQKMADLRQL409 VTEHAQMMQR419 IKKTETETSL429 HPLLQEIYKD 439 MY
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for specific ligation of the peroxisome proliferator-activated receptor Delta. Proc Natl Acad Sci U S A. 2017 Mar 28;114(13):E2563-E2570. | ||||
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