› 3et3

X-ray diffraction
1.95Å resolution

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

Released:
DOI: 10.2210/pdb3et3/pdb
PDB entry 3et3 coloured by chain, front view.
PDB entry 3et3 coloured by chain, side view.
PDB entry 3et3 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

Reaction catalysed: 
Acetyl-CoA + [protein]-L-lysine = CoA + [protein]-N(6)-acetyl-L-lysine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153375 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 292 amino acids
Theoretical weight: 33.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 235-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 1 Chain: P
Molecule details ›
Chain: P
Length: 16 amino acids
Theoretical weight: 1.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15788 (Residues: 680-695; Coverage: 1%)
Gene names: BHLHE74, NCOA1, SRC1

Ligands and Environments

1 bound ligand:
Ligand ET1 1 x ET1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: C2221
Unit cell:
a: 52.853Å b: 86.671Å c: 122.135Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.179 0.236
Expression system: Escherichia coli

Quick links

Citations

17 review citations

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

12 mentions without citation

The PPAR Ω Pocket: Renewed Opportunities for Drug Development.
Kaupang et al. (2020)
11 more