Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
PPARA_HUMAN
Ligand General Information  Top
Ligand Name Icosapent Ligand Info
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
InChI 1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKey JAZBEHYOTPTENJ-JLNKQSITSA-N
PubChem Compound ID 446284
Drug Binding Sites of Target  Top
PDB ID: 6LXA      X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding
Method X-ray diffraction Resolution 1.23 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKSNNPPF
239
VIHDMETLCM
249

AEKTLVAKLV
259
ANGIQNKEAE
269
VRIFHCCQCT
279
SVETVTELTE
289
FAKAIPGFAN
299

LDLNDQVTLL
309
KYGVYEAIFA
319
MLSSVMNKDG
329
MLVAYGNGFI
339
TREFLKSLRK
349

PFCDIMEPKF
359
DFAMKFNALE
369
LDDSDISLFV
379
AAIICCGDRP
389
GLLNVGHIEK
399

MQEGIVHVLR
409
LHLQSNHPDD
419
IFLFPKLLQK
429
MADLRQLVTE
439
HAQLVQIIKK
449

TESDAALHPL
459
LQEIYRDMY
Residue
Distance (Å)
ILE241
3.245
LEU247
3.678
ALA250
3.165
GLU251
2.919
LEU254
3.528
VAL255
3.359
ARG271
4.586
ILE272
2.730
PHE273
2.914
CYS275
3.365
CYS276
2.942
GLN277
3.081
THR279
2.613
SER280
2.693
TYR314
2.629
ILE317
4.902
Residue
Distance (Å)
PHE318
3.287
LEU321
3.283
MET330
3.176
LEU331
4.825
VAL332
3.009
ALA333
3.875
ILE339
3.642
LEU344
4.978
ILE354
3.877
MET355
2.994
LYS358
4.236
HIS440
2.818
VAL444
3.849
LEU460
3.596
TYR464
2.644
PDB ID: 7BQ4      X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA)-SRC1 coactivator peptide co-crystals obtained by delipidation and co-crystallization
Method X-ray diffraction Resolution 1.62 Å Mutation No [1]
PDB Sequence
ADLKSLAKRI
210
YEAYLKNFNM
220
NKVKARVILS
230
GPPFVIHDME
245
TLCMAEKTLV
255

AKLVANNKEA
268
EVRIFHCCQC
278
TSVETVTELT
288
EFAKAIPGFA
298
NLDLNDQVTL
308

LKYGVYEAIF
318
AMLSSVMNKD
328
GMLVAYGNGF
338
ITREFLKSLR
348
KPFCDIMEPK
358

FDFAMKFNAL
368
ELDDSDISLF
378
VAAIICCGDR
388
PGLLNVGHIE
398
KMQEGIVHVL
408

RLHLQSNHPD
418
DIFLFPKLLQ
428
KMADLRQLVT
438
EHAQLVQIIK
448
KTESDAALHP
458

LLQEIYRDMY
468
Residue
Distance (Å)
ILE241
3.366
LEU247
3.850
ALA250
3.056
GLU251
3.044
LEU254
3.486
VAL255
3.579
ARG271
4.879
ILE272
2.712
PHE273
3.356
CYS275
3.626
CYS276
2.838
GLN277
3.423
THR279
2.653
SER280
2.737
TYR314
2.555
Residue
Distance (Å)
PHE318
3.459
LEU321
3.198
MET330
3.240
LEU331
4.793
VAL332
3.058
ALA333
4.096
ILE339
3.770
LEU344
4.884
ILE354
2.884
MET355
3.166
LYS358
4.085
HIS440
2.794
VAL444
3.789
LEU460
3.699
TYR464
2.584
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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