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 T36557 Target Info
Target Name Peroxisome proliferator-activated receptor delta (PPARD)
Synonyms Peroxisomeproliferator-activated receptor beta; Peroxisomeproliferator activated receptor beta/delta; Peroxisome proliferator-activated receptor beta; PPARdelta; PPARB; PPAR-delta; PPAR-beta; Nuclear receptor subfamily 1 group C member 2; Nuclear hormone receptor 1; NUCI; NUC1; NR1C2
Target Type Clinical trial Target
Gene Name PPARD
Biochemical Class Nuclear hormone receptor
UniProt ID
PPARD_HUMAN
Ligand General Information  Top
Ligand Name Hexyl beta-D-glucopyranoside Ligand Info
Canonical SMILES CCCCCCOC1C(C(C(C(O1)CO)O)O)O
InChI 1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
InChIKey JVAZJLFFSJARQM-RMPHRYRLSA-N
PubChem Compound ID 181215
Drug Binding Sites of Target  Top
PDB ID: 5Y7X      Human Peroxisome proliferator-activated receptor (PPAR) delta in complexed with a potent and selective agonist
Method X-ray diffraction Resolution 1.70 Å Mutation No [1]
PDB Sequence
ADLKAFSKHI
182
YNAYLKNFNM
192
TKKKARSILT
202
GHTAPFVIHD
215
IETLWQAEKG
225

LVWLPPYKEI
241
SVHVFYRCQC
251
TTVETVRELT
261
EFAKSIPSFS
271
SLFLNDQVTL
281

LKYGVHEAIF
291
AMLASIVNKD
301
GLLVANGSGF
311
VTREFLRSLR
321
KPFSDIIEPK
331

FEFAVKFNAL
341
ELDDSDLALF
351
IAAIILCGDR
361
PGLMNVPRVE
371
AIQDTILRAL
381

EFHLQANHPD
391
AQYLFPKLLQ
401
KMADLRQLVT
411
EHAQMMQRIK
421
KTETETSLHP
431

LLQEIYKD
Residue
Distance (Å)
VAL257
3.192
THR261
2.879
VAL279
3.209
LEU282
3.026
LYS283
2.344
Residue
Distance (Å)
VAL286
4.624
LEU432
3.412
GLU435
2.717
ILE436
2.745
LYS438
2.314
PDB ID: 3PEQ      PPARd complexed with a phenoxyacetic acid partial agonist
Method X-ray diffraction Resolution 2.40 Å Mutation No [2]
PDB Sequence
ADLKAFSKHI
218
YNAYLKNFNM
228
TKKKARSILT
238
APFVIHDIET
254
LWQAEKGLVW
264

LPPYKEISVH
280
VFYRCQCTTV
290
ETVRELTEFA
300
KSIPSFSSLF
310
LNDQVTLLKY
320

GVHEAIFAML
330
ASIVNKDGLL
340
VANGSGFVTR
350
EFLRSLRKPF
360
SDIIEPKFEF
370

AVKFNALELD
380
DSDLALFIAA
390
IILCGDRPGL
400
MNVPRVEAIQ
410
DTILRALEFH
420

LQANHPDAQY
430
LFPKLLQKMA
440
DLRQLVTEHA
450
QMMQRIKKTE
460
TETSLHPLLQ
470

EIYKD
Residue
Distance (Å)
PHE282
4.448
GLN286
3.620
VAL293
4.198
THR297
3.717
VAL315
3.836
LEU318
3.805
LYS319
2.779
ALA450
3.376
GLN451
4.362
MET453
3.416
GLN454
3.481
Residue
Distance (Å)
LYS457
3.126
LEU465
3.719
HIS466
4.393
LEU468
4.319
LEU469
3.696
GLN470
4.274
GLU471
2.870
ILE472
3.715
TYR473
3.184
LYS474
2.898
ASP475
3.213
References  Top
REF 1 Design, synthesis, and the X-ray co-crystal structure of Highly Potent, Selective, and Orally Bioavailable, Novel Peroxisome Proliferator-Activated Receptor delta Agonists
REF 2 Phenoxyacetic acids as PPARDelta partial agonists: synthesis, optimization, and in vivo efficacy. Bioorg Med Chem Lett. 2011 Apr 15;21(8):2345-50.

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