Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86591 | Target Info | |||
| Target Name | Peroxisome proliferator-activated receptor alpha (PPARA) | ||||
| Synonyms | Peroxisome proliferater-activated receptor alpha; PPARalpha; PPAR-alpha; PPAR; Nuclear receptor subfamily 1 group C member 1; NR1C1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | PPARA | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Eicosatetranoic acid | Ligand Info | |||
| Canonical SMILES | CCCCCC#CCC#CCC#CCC#CCCCC(=O)O | ||||
| InChI | 1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22) | ||||
| InChIKey | MGLDCXPLYOWQRP-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 1780 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6KB0 X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic acid (ETYA) co-crystals obtained by soaking | ||||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | No | [1] |
| PDB Sequence |
DLKSLAKRIY
211 EAYLKNFNMN221 KVKARVILSG231 NNPPFVIHDM244 ETLCMAEKTL254 VAKLVANGIQ 264 NKEAEVRIFH274 CCQCTSVETV284 TELTEFAKAI294 PGFANLDLND304 QVTLLKYGVY 314 EAIFAMLSSV324 MNKDGMLVAY334 GNGFITREFL344 KSLRKPFCDI354 MEPKFDFAMK 364 FNALELDDSD374 ISLFVAAIIC384 CGDRPGLLNV394 GHIEKMQEGI404 VHVLRLHLQS 414 NHPDDIFLFP424 KLLQKMADLR434 QLVTEHAQLV444 QIIKKTESDA454 ALHPLLQEIY 464 RDMY
|
|||||
|
|
ILE241
3.154
LEU247
3.424
ALA250
3.098
GLU251
3.214
LEU254
2.821
VAL255
2.924
ARG271
4.666
ILE272
3.512
PHE273
3.146
CYS275
3.221
CYS276
2.599
GLN277
3.295
THR279
3.029
SER280
2.593
TYR314
2.583
ILE317
3.149
|
|||||
| PDB ID: 6KB5 X-ray structure of human PPARalpha ligand binding domain-5,8,11,14-eicosatetraynoic Acid (ETYA) co-crystals obtained by delipidation and cross-seeding | ||||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [1] |
| PDB Sequence |
ADLKSLAKRI
210 YEAYLKNFNM220 NKVKARVILS230 GNPPFVIHDM244 ETLCMAEKTL254 VAKLVANGIQ 264 NKEAEVRIFH274 CCQCTSVETV284 TELTEFAKAI294 PGFANLDLND304 QVTLLKYGVY 314 EAIFAMLSSV324 MNKDGMLVAY334 GNGFITREFL344 KSLRKPFCDI354 MEPKFDFAMK 364 FNALELDDSD374 ISLFVAAIIC384 CGDRPGLLNV394 GHIEKMQEGI404 VHVLRLHLQS 414 NHPDDIFLFP424 KLLQKMADLR434 QLVTEHAQLV444 QIIKKTESDA454 ALHPLLQEIY 464 RDMY
|
|||||
|
|
ILE241
2.756
LEU247
3.585
ALA250
2.725
GLU251
2.968
LEU254
2.669
VAL255
3.417
ARG271
4.822
ILE272
3.392
PHE273
3.104
CYS275
3.644
CYS276
2.646
GLN277
3.246
THR279
3.061
SER280
2.590
TYR314
2.541
ILE317
3.276
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | PPARAlpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. iScience. 2020 Oct 23;23(11):101727. | ||||
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