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 5-Methoxyindole-3-acetic acid Ligand Info
Canonical SMILES COC1=CC2=C(C=C1)NC=C2CC(=O)O
InChI 1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKey COCNDHOPIHDTHK-UHFFFAOYSA-N
PubChem Compound ID 18986
Drug Binding Sites of Target  Top
PDB ID: 3ADW      Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate and 15-oxo-eicosatetraenoic acid
Method X-ray diffraction Resolution 2.07 Å Mutation No [1]
PDB Sequence
QLNPESADLR
212
ALAKHLYDSY
222
IKSFPLTKAK
232
ARAILTGKTT
242
DKSPFVIYDM
252

NSLMMGEDKI
262
KFKHITPLQE
272
QSKEVAIRIF
282
QGCQFRSVEA
292
VQEITEYAKS
302

IPGFVNLDLN
312
DQVTLLKYGV
322
HEIIYTMLAS
332
LMNKDGVLIS
342
EGQGFMTREF
352

LKSLRKPFGD
362
FMEPKFEFAV
372
KFNALELDDS
382
DLAIFIAVII
392
LSGDRPGLLN
402

VKPIEDIQDN
412
LLQALELQLK
422
LNHPESSQLF
432
AKLLQKMTDL
442
RQIVTEHVQL
452

LQVIKKTETD
462
MSLHPLLQEI
472
YKDL
Residue
Distance (Å)
PHE282
3.092
CYS285
3.363
GLN286
3.501
SER289
2.981
HIS323
3.304
ILE326
4.066
TYR327
2.974
LEU330
3.840
Residue
Distance (Å)
PHE363
3.913
MET364
3.834
LYS367
3.042
HIS449
3.418
LEU453
4.672
LEU469
3.973
TYR473
2.961
PDB ID: 3ADU      Human PPARgamma ligand-binding domain in complex with 5-methoxy-indole acetate
Method X-ray diffraction Resolution 2.77 Å Mutation No [1]
PDB Sequence
QLNPESADLR
212
ALAKHLYDSY
222
IKSFPLTKAK
232
ARAILTGKTT
242
DKSPFVIYDM
252

NSLMMGEDEV
277
AIRIFQGCQF
287
RSVEAVQEIT
297
EYAKSIPGFV
307
NLDLNDQVTL
317

LKYGVHEIIY
327
TMLASLMNKD
337
GVLISEGQGF
347
MTREFLKSLR
357
KPFGDFMEPK
367

FEFAVKFNAL
377
ELDDSDLAIF
387
IAVIILSGDR
397
PGLLNVKPIE
407
DIQDNLLQAL
417

ELQLKLNHPE
427
SSQLFAKLLQ
437
KMTDLRQIVT
447
EHVQLLQVIK
457
KTETDMSLHP
467

LLQEIYKDL
Residue
Distance (Å)
PHE282
3.469
CYS285
3.499
GLN286
3.814
ARG288
3.256
SER289
3.309
ALA292
4.370
HIS323
2.918
ILE326
3.451
TYR327
3.415
MET329
3.993
LEU330
3.376
LEU333
3.386
Residue
Distance (Å)
VAL339
4.220
LEU340
4.948
ILE341
3.749
PHE363
3.790
MET364
3.612
LYS367
3.946
HIS449
2.859
LEU453
3.702
LEU465
4.601
LEU469
3.833
TYR473
2.715
References  Top
REF 1 The nuclear receptor PPAR individually responds to serotonin- and fatty acid-metabolites. EMBO J. 2010 Oct 6;29(19):3395-407.

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