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 (2s)-3-(Biphenyl-4-Yl)-2-(Biphenyl-4-Yloxy)propanoic Acid Ligand Info
Canonical SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)OC3=CC=C(C=C3)C4=CC=CC=C4
InChI 1S/C27H22O3/c28-27(29)26(19-20-11-13-23(14-12-20)21-7-3-1-4-8-21)30-25-17-15-24(16-18-25)22-9-5-2-6-10-22/h1-18,26H,19H2,(H,28,29)/t26-/m0/s1
InChIKey DGMLYRGMJHVKNC-SANMLTNESA-N
PubChem Compound ID 73167563
Drug Binding Sites of Target  Top
PDB ID: 6F2L      Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Method X-ray diffraction Resolution 2.10 Å Mutation No [1]
PDB Sequence
ESADLRALAK
216
HLYDSYIKSF
226
PLTKAKARAI
236
LTGKTTDKSP
246
FVIYDMNSLM
256

MGEDKIKFKK
275
EVAIRIFQGC
285
QFRSVEAVQE
295
ITEYAKSIPG
305
FVNLDLNDQV
315

TLLKYGVHEI
325
IYTMLASLMN
335
KDGVLISEGQ
345
GFMTREFLKS
355
LRKPFGDFME
365

PKFEFAVKFN
375
ALELDDSDLA
385
IFIAVIILSG
395
DRPGLLNVKP
405
IEDIQDNLLQ
415

ALELQLKLNH
425
PESSQLFAKL
435
LQKMTDLRQI
445
VTEHVQLLQV
455
IKKTETDMSL
465

HPLLQEIYK
Residue
Distance (Å)
PHE282
3.302
GLN283
3.679
CYS285
3.112
GLN286
2.930
ARG288
4.378
SER289
2.774
HIS323
2.731
ILE326
3.998
TYR327
3.616
LEU330
3.598
VAL339
4.298
LEU340
4.108
ILE341
3.795
Residue
Distance (Å)
PHE360
4.124
PHE363
3.167
MET364
3.501
LYS367
4.982
HIS449
2.702
LEU453
3.908
ILE456
4.427
MET463
3.269
SER464
4.035
LEU465
4.670
LEU469
3.266
TYR473
2.650
PDB ID: 4JL4      Crystal structure of the complex between PPARgamma LBD and the ligand LJ570 [(2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid]
Method X-ray diffraction Resolution 2.50 Å Mutation No [2]
PDB Sequence
ESADLRALAK
216
HLYDSYIKSF
226
PLTKAKARAI
236
LTGKTTDKSP
246
FVIYDMNSLM
256

MGEDKIKFKH
266
ITPLQEQSKE
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)
LEU255
4.531
PHE264
3.264
HIS266
3.068
ARG280
4.902
ILE281
3.258
PHE282
4.972
GLY284
4.257
CYS285
2.929
ARG288
3.366
SER289
2.844
HIS323
3.590
Residue
Distance (Å)
ILE326
3.990
TYR327
3.349
LEU330
3.388
VAL339
4.455
LEU340
4.541
ILE341
3.434
MET348
3.773
MET364
3.161
HIS449
3.051
TYR473
3.609
References  Top
REF 1 Crystal structure of the complex of the nuclear receptor PPARgamma and the agonist LJ570: structure obtained from crystals of apo-protein soaked for 15 days
REF 2 Crystal structure of the complex between PPARgamma LBD and the dual agonist LJ570

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