Target Binding Site Detail

Content Navigation (  All   None )                                      
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 Ciprofibrate, (S)- Ligand Info
Canonical SMILES CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2(Cl)Cl
InChI 1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKey KPSRODZRAIWAKH-JTQLQIEISA-N
PubChem Compound ID 6603766
Drug Binding Sites of Target  Top
PDB ID: 6LX5      X-ray structure of human PPARalpha ligand binding domain-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Method X-ray diffraction Resolution 1.87 Å Mutation No [1]
PDB Sequence
GSHMTADLKS
205
LAKRIYEAYL
215
KNFNMNKVKA
225
RVILSGKASN
235
NPPFVIHDME
245

TLCMAEKTLV
255
AKLVANGIQN
265
KEAEVRIFHC
275
CQCTSVETVT
285
ELTEFAKAIP
295

GFANLDLNDQ
305
VTLLKYGVYE
315
AIFAMLSSVM
325
NKDGMLVAYG
335
NGFITREFLK
345

SLRKPFCDIM
355
EPKFDFAMKF
365
NALELDDSDI
375
SLFVAAIICC
385
GDRPGLLNVG
395

HIEKMQEGIV
405
HVLRLHLQSN
415
HPDDIFLFPK
425
LLQKMADLRQ
435
LVTEHAQLVQ
445

IIKKTESDAA
455
LHPLLQEIYR
465
DMY
Residue
Distance (Å)
ILE241
3.104
LEU247
4.227
ALA250
4.345
GLU251
4.936
LEU254
2.701
LYS257
2.475
ARG271
4.737
ILE272
3.491
PHE273
2.923
CYS275
3.532
CYS276
3.003
GLN277
2.570
THR279
2.824
SER280
2.666
GLU282
3.599
TYR314
2.510
PHE318
3.433
Residue
Distance (Å)
VAL332
3.463
ALA333
3.577
TYR334
3.076
ILE339
3.295
PHE351
3.347
ILE354
3.078
MET355
3.750
LYS358
4.971
HIS440
2.661
VAL444
3.449
ILE447
3.315
LYS448
3.728
ALA454
2.713
ALA455
3.292
LEU456
2.849
LEU460
3.928
TYR464
2.488
PDB ID: 6L37      X-ray structure of human PPARalpha ligand binding domain-GW9662-ciprofibrate co-crystals obtained by delipidation and co-crystallization
Method X-ray diffraction Resolution 2.91 Å Mutation No [1]
PDB Sequence
MTADLKSLAK
208
RIYEAYLKNF
218
NMNKVKARVI
228
LSGKASNNPP
238
FVIHDMETLC
248

MAEKTLVAKL
258
VANGIQNKEA
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)
PHE273
2.799
HIS274
3.985
CYS276
3.146
GLN277
2.531
CYS278
4.947
SER280
2.490
TYR314
2.657
ILE317
4.145
PHE318
3.389
PHE351
4.144
ILE354
3.707
MET355
4.018
Residue
Distance (Å)
LYS358
4.874
HIS440
3.105
VAL444
4.172
ILE447
3.482
LYS448
4.997
ALA454
3.215
ALA455
3.941
LEU456
3.214
HIS457
4.921
LEU460
3.820
TYR464
2.958
References  Top
REF 1 PPARAlpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. iScience. 2020 Oct 23;23(11):101727.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.