› 3et2

X-ray diffraction
2.24Å resolution

Structure of PPARdelta with 3-[5-Methoxy-1-(4-methoxy-benzenesulfonyl)-1H-indol-3-yl]-propionic acid

Released:
DOI: 10.2210/pdb3et2/pdb
PDB entry 3et2 coloured by chain, front view.
PDB entry 3et2 coloured by chain, side view.
PDB entry 3et2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Scaffold-based discovery of indeglitazar, a PPAR pan-active anti-diabetic agent.
Artis DR, Lin JJ, Zhang C, Wang W, Mehra U, Perreault M, Erbe D, Krupka HI, England BP, Arnold J, Plotnikov AN, Marimuthu A, Nguyen H, Will S, Signaevsky M, Kral J, Cantwell J, Settachatgull C, Yan DS, Fong D, Oh A, Shi S, Womack P, Powell B, Habets G, West BL, Zhang KY, Milburn MV, Vlasuk GP, Hirth KP, Nolop K, Bollag G, Ibrahim PN, Tobin JF
Proc Natl Acad Sci U S A 106 262-7 (2009)
PMID: 19116277

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169863 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 32.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q03181 (Residues: 165-441; Coverage: 63%)
Gene names: NR1C2, PPARB, PPARD
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand ET1 2 x ET1
Ligand 1BO 3 x 1BO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 39.402Å b: 94.353Å c: 97.183Å
α: 90° β: 98.27° γ: 90°
R-values:
R R work R free
0.188 0.185 0.242
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Vemurafenib: the first drug approved for BRAF-mutant cancer.
Bollag et al. (2012)
15 more

7 mentions without citation

Activation of PPARĪ“: from computer modelling to biological effects.
Kahremany et al. (2015)
6 more