› 1k74

X-ray diffraction
2.3Å resolution

The 2.3 Angstrom resolution crystal structure of the heterodimer of the human PPARgamma and RXRalpha ligand binding domains respectively bound with GW409544 and 9-cis retinoic acid and co-activator peptides.

Released:
DOI: 10.2210/pdb1k74/pdb
PDB entry 1k74 coloured by chain, front view.
PDB entry 1k74 coloured by chain, side view.
PDB entry 1k74 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural determinants of ligand binding selectivity between the peroxisome proliferator-activated receptors.
Xu HE, Lambert MH, Montana VG, Plunket KD, Moore LB, Collins JL, Oplinger JA, Kliewer SA, Gampe RT, McKee DD, Moore JT, Willson TM
Proc Natl Acad Sci U S A 98 13919-24 (2001)
PMID: 11698662

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 domain:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-148713 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Retinoic acid receptor RXR-alpha Chain: A
Molecule details ›
Chain: A
Length: 238 amino acids
Theoretical weight: 26.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P19793 (Residues: 225-462; Coverage: 52%)
Gene names: NR2B1, RXRA
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Peroxisome proliferator-activated receptor gamma Chain: D
Molecule details ›
Chain: D
Length: 283 amino acids
Theoretical weight: 32.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P37231 (Residues: 234-505; Coverage: 54%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 1 Chains: B, E
Molecule details ›
Chains: B, E
Length: 25 amino acids
Theoretical weight: 2.81 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15788 (Residues: 676-700; Coverage: 2%)
Gene names: BHLHE74, NCOA1, SRC1
Sequence domains: Steroid receptor coactivator

Ligands and Environments

2 bound ligands:
Ligand 9CR 1 x 9CR
Ligand 544 1 x 544
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 46.62Å b: 55.1Å c: 214.86Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.238 0.279
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

71 review citations

Transcriptional regulation of metabolism.
Desvergne et al. (2006)
70 more

32 mentions without citation

Computational methods in drug discovery.
Sliwoski et al. (2014)
31 more