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 2-[(2,4-Dichlorobenzoyl)amino]-5-(pyrimidin-2-yloxy)benzoic acid Ligand Info
Canonical SMILES C1=CN=C(N=C1)OC2=CC(=C(C=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O
InChI 1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26)
InChIKey VNDRRWBKNSHALL-UHFFFAOYSA-N
PubChem Compound ID 5289162
Drug Binding Sites of Target  Top
PDB ID: 3DZU      Intact PPAR gamma - RXR alpha Nuclear Receptor Complex on DNA bound with BVT.13, 9-cis Retinoic Acid and NCOA2 Peptide
Method X-ray diffraction Resolution 3.20 Å Mutation No [1]
PDB Sequence
AIECRVCGDK
117
ASGFHYGVHA
127
CEGCKGFFRR
137
TIRLKLIYDR
147
CDLNCRIHKK
157

SRNKCQYCRF
167
QKCLAVGMSH
177
NAIRFGRMPQ
187
AEKEKLLAEI
197
SSDIDQLNPE
207

SADLRALAKH
217
LYDSYIKSFP
227
LTKAKARAIL
237
TGKTTDKSPF
247
VIYDMNSLMM
257

GEDKIKFEVA
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

LQEIYKDLY
Residue
Distance (Å)
LEU255
4.547
GLY258
4.683
ASP260
3.819
ILE262
4.334
ARG280
2.892
ILE281
3.191
GLN283
4.968
GLY284
3.375
CYS285
3.251
ARG288
2.826
SER289
3.928
Residue
Distance (Å)
ALA292
4.152
ILE326
4.061
MET329
4.049
LEU330
4.115
LEU333
3.315
VAL339
4.401
LEU340
3.167
ILE341
3.481
SER342
2.606
MET348
3.816
MET364
3.998
PDB ID: 1WM0      PPARgamma in complex with a 2-BABA compound
Method X-ray diffraction Resolution 2.90 Å Mutation No [2]
PDB Sequence
IEGRLNPESA
209
DLRALAKHLY
219
DSYIKSFPLT
229
KAKARAILTG
239
KTTDKSPFVI
249

YDMNSLMMGE
259
DKIKFKHISK
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
HPLLQEIYKD
475
LY
Residue
Distance (Å)
ILE249
4.253
LEU255
3.477
GLU259
3.451
PHE264
3.704
HIS266
3.193
ILE267
4.308
ARG280
3.972
ILE281
3.244
GLY284
3.360
CYS285
3.304
ARG288
2.955
SER289
3.945
Residue
Distance (Å)
ALA292
4.049
ILE326
4.381
MET329
3.648
LEU330
4.073
LEU333
3.804
VAL339
4.652
LEU340
3.313
ILE341
3.303
SER342
3.207
GLU343
4.869
MET348
3.492
MET364
4.258
References  Top
REF 1 Structure of the intact PPAR-gamma-RXR- nuclear receptor complex on DNA. Nature. 2008 Nov 20;456(7220):350-6.
REF 2 A new class of peroxisome proliferator-activated receptor agonists with a novel binding epitope shows antidiabetic effects. J Biol Chem. 2004 Sep 24;279(39):41124-30.

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