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 trans-Vaccenic acid Ligand Info
Canonical SMILES CCCCCCC=CCCCCCCCCCC(=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/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
InChIKey UWHZIFQPPBDJPM-BQYQJAHWSA-N
PubChem Compound ID 5281127
Drug Binding Sites of Target  Top
PDB ID: 2B50      Human Nuclear Receptor-Ligand Complex 2
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
LKAFSKHIYN
220
AYLKNFNMTK
230
KKARSILTGK
240
ASHTAPFVIH
250
DIETLWQAEK
260

GLVWKLPPYK
275
EISVHVFYRC
285
QCTTVETVRE
295
LTEFAKSIPS
305
FSSLFLNDQV
315

TLLKYGVHEA
325
IFAMLASIVN
335
KDGLLVANGS
345
GFVTREFLRS
355
LRKPFSDIIE
365

PKFEFAVKFN
375
ALELDDSDLA
385
LFIAAIILCG
395
DRPGLMNVPR
405
VEAIQDTILR
415

ALEFHLQANH
425
PDAQQLFPKL
435
LQKMADLRQL
445
VTEHAQMMQR
455
IKKTETETSL
465

HPLLQEIYKD
475
M
Residue
Distance (Å)
ILE249
4.774
LEU255
3.755
TRP264
3.811
VAL281
3.955
PHE282
3.966
ARG284
3.820
CYS285
3.500
GLN286
4.009
THR288
4.062
THR289
2.703
HIS323
3.020
ILE326
4.593
Residue
Distance (Å)
PHE327
3.911
LEU330
4.043
LEU339
4.304
VAL341
3.568
VAL348
3.982
ILE363
4.530
ILE364
4.653
LYS367
4.550
HIS449
2.640
MET453
3.532
LEU469
3.482
TYR473
2.614
PDB ID: 2AWH      Human Nuclear Receptor-Ligand Complex 1
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
DLKAFSKHIY
219
NAYLKNFNMT
229
KKKARSILTH
243
TAPFVIHDIE
253
TLWQAEKGLV
263

WKEISVHVFY
283
RCQCTTVETV
293
RELTEFAKSI
303
PSFSSLFLND
313
QVTLLKYGVH
323

EAIFAMLASI
333
VNKDGLLVAN
343
GSGFVTREFL
353
RSLRKPFSDI
363
IEPKFEFAVK
373

FNALELDDSD
383
LALFIAAIIL
393
CGDRPGLMNV
403
PRVEAIQDTI
413
LRALEFHLQA
423

NHPDAQQLFP
433
KLLQKMADLR
443
QLVTEHAQMM
453
QRIKKTETET
463
SLHPLLQEIY
473

KDMY
Residue
Distance (Å)
LEU255
4.367
TRP264
4.208
VAL281
3.929
PHE282
4.177
ARG284
3.754
CYS285
4.021
GLN286
3.800
THR288
3.630
THR289
2.449
HIS323
2.786
PHE327
4.010
LEU330
4.181
Residue
Distance (Å)
LEU339
3.627
VAL341
3.902
VAL348
4.312
LEU353
4.739
ILE363
3.973
ILE364
4.286
LYS367
4.234
HIS449
2.814
MET453
3.622
LEU469
3.474
TYR473
2.622
PDB ID: 2BAW      Human Nuclear Receptor-Ligand Complex 1
Method X-ray diffraction Resolution 2.30 Å Mutation No [2]
PDB Sequence
LKAFSKHIYN
220
AYLKNFNMTK
230
KKARSILTKA
241
PFVIHDIETL
255
WQAEKGLVWK
275

EISVHVFYRC
285
QCTTVETVRE
295
LTEFAKSIPS
305
FSSLFLNDQV
315
TLLKYGVHEA
325

IFAMLASIVN
335
KDGLLVANGS
345
GFVTREFLRS
355
LRKPFSDIIE
365
PKFEFAVKFN
375

ALELDDSDLA
385
LFIAAIILCG
395
DRPGLMNVPR
405
VEAIQDTILR
415
ALEFHLQANH
425

PDAQQLFPKL
435
LQKMADLRQL
445
VTEHAQMMQR
455
IKKTETETSL
465
HPLLQEIYKD
475
Residue
Distance (Å)
LEU255
3.605
TRP264
3.723
VAL281
3.781
PHE282
4.382
ARG284
4.135
CYS285
3.487
GLN286
3.961
THR288
3.725
THR289
2.747
HIS323
2.895
PHE327
4.171
Residue
Distance (Å)
LEU330
4.206
LEU339
3.482
VAL341
3.475
VAL348
3.612
LEU353
4.910
ILE364
4.438
LYS367
4.811
HIS449
2.529
MET453
3.667
LEU469
3.419
TYR473
2.669
References  Top
REF 1 Recombinant human PPAR-beta/delta ligand-binding domain is locked in an activated conformation by endogenous fatty acids. J Mol Biol. 2006 Mar 3;356(4):1005-13.
REF 2 Reevaluation of the PPAR-beta/delta ligand binding domain model reveals why it exhibits the activated form. Mol Cell. 2006 Jan 6;21(1):1-2.

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