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 T58921 Target Info
Target Name Peroxisome proliferator-activated receptor gamma (PPAR-gamma)
Synonyms PPAR-gamma; Nuclear receptor subfamily 1 group C member 3; NR1C3
Target Type Successful Target
Gene Name PPARG
Biochemical Class Nuclear hormone receptor
UniProt ID
PPARG_HUMAN
Ligand General Information  Top
Ligand Name Oleic acid Ligand Info
Canonical SMILES CCCCCCCCC=CCCCCCCCC(=O)O
InChI 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChIKey ZQPPMHVWECSIRJ-KTKRTIGZSA-N
PubChem Compound ID 445639
Drug Binding Sites of Target  Top
PDB ID: 6MD0      Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Oleic Acid
Method X-ray diffraction Resolution 1.95 Å Mutation No [1]
PDB Sequence
ESADLRALAK
216
HLYDSYIKSF
226
PLTKAKARAI
236
LTGTDKSPFV
248
IYDMNSLMMG
258

EDKIKKEVAI
279
RIFQGCQFRS
289
VEAVQEITEY
299
AKSIPGFVNL
309
DLNDQVTLLK
319

YGVHEIIYTM
329
LASLMNKDGV
339
LISEGQGFMT
349
REFLKSLRKP
359
FGDFMEPKFE
369

FAVKFNALEL
379
DDSDLAIFIA
389
VIILSGDRPG
399
LLNVKPIEDI
409
QDNLLQALEL
419

QLKLNHPESS
429
QLFAKLLQKM
439
TDLRQIVTEH
449
VQLLQVIKKT
459
ETDMSLHPLL
469

QEIYK
Residue
Distance (Å)
ILE281
4.163
PHE282
4.449
GLY284
4.003
CYS285
3.186
GLN286
3.516
ARG288
4.326
SER289
2.966
HIS323
3.209
ILE326
4.391
TYR327
4.088
LEU330
3.809
Residue
Distance (Å)
VAL339
4.297
LEU340
4.895
ILE341
3.606
MET348
3.739
PHE363
3.142
MET364
3.645
LYS367
4.991
HIS449
3.230
LEU453
4.048
LEU469
3.882
TYR473
2.674
PDB ID: 6MD1      Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with GW9662 and Oleic acid
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
ESADLRALAK
216
HLYDSYIKSF
226
PLTKAKARAI
236
LTGKTTDKSP
246
FVIYDMNSLM
256

MGEDKIKEVA
278
IRIFQGCQFR
288
SVEAVQEITE
298
YAKSIPGFVN
308
LDLNDQVTLL
318

KYGVHEIIYT
328
MLASLMNKDG
338
VLISEGQGFM
348
TREFLKSLRK
358
PFGDFMEPKF
368

EFAVKFNALE
378
LDDSDLAIFI
388
AVIILSGDRP
398
GLLNVKPIED
408
IQDNLLQALE
418

LQLKLNHPES
428
SQLFAKLLQK
438
MTDLRQIVTE
448
HVQLLQVIKK
458
TETDMSLHPL
468

LQEIYKD
Residue
Distance (Å)
LEU228
4.985
ILE281
4.100
GLY284
3.861
CYS285
3.221
PHE287
3.562
ARG288
3.027
GLU291
3.720
LEU330
4.606
LEU333
4.466
Residue
Distance (Å)
VAL339
4.484
LEU340
4.162
ILE341
3.196
SER342
2.923
GLU343
2.840
GLY344
4.734
MET348
4.741
MET364
3.659
PDB ID: 6MD4      Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Rosiglitazone and Oleic acid
Method X-ray diffraction Resolution 2.24 Å Mutation No [1]
PDB Sequence
ESADLRALAK
216
HLYDSYIKSF
226
PLTKAKARAI
236
LTGKTTDKSP
246
FVIYDMNSLM
256

MGEDKIKFKE
276
VAIRIFQGCQ
286
FRSVEAVQEI
296
TEYAKSIPGF
306
VNLDLNDQVT
316

LLKYGVHEII
326
YTMLASLMNK
336
DGVLISEGQG
346
FMTREFLKSL
356
RKPFGDFMEP
366

KFEFAVKFNA
376
LELDDSDLAI
386
FIAVIILSGD
396
RPGLLNVKPI
406
EDIQDNLLQA
416

LELQLKLNHP
426
ESSQLFAKLL
436
QKMTDLRQIV
446
TEHVQLLQVI
456
KKTETDMSLH
466

PLLQEIYK
Residue
Distance (Å)
LEU228
3.080
GLY284
4.513
PHE287
3.491
ARG288
3.184
GLU291
3.100
ALA292
4.058
ILE325
4.904
ILE326
3.132
Residue
Distance (Å)
MET329
3.114
LEU330
3.248
LEU333
3.078
LEU340
3.238
ILE341
3.319
SER342
3.291
GLU343
2.817
GLY344
3.272
References  Top
REF 1 Cooperative cobinding of synthetic and natural ligands to the nuclear receptor PPARGamma. Elife. 2018 Dec 21;7:e43320.

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