› 4pp6

X-ray diffraction
2.2Å resolution

Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Resveratrol

Released:
DOI: 10.2210/pdb4pp6/pdb
PDB entry 4pp6 coloured by chain, front view.
PDB entry 4pp6 coloured by chain, side view.
PDB entry 4pp6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Nwachukwu JC, Srinivasan S, Bruno NE, Parent AA, Hughes TS, Pollock JA, Gjyshi O, Cavett V, Nowak J, Garcia-Ordonez RD, Houtman R, Griffin PR, Kojetin DJ, Katzenellenbogen JA, Conkright MD, Nettles KW
Elife 3 e02057 (2014)
PMID: 24771768

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136928 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Estrogen receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 244 amino acids
Theoretical weight: 27.83 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 305-548; Coverage: 41%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 9 amino acids
Theoretical weight: 1.14 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 688-696; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

1 bound ligand:
Ligand STL 2 x STL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21
Unit cell:
a: 56.04Å b: 84.67Å c: 58.42Å
α: 90° β: 108.32° γ: 90°
R-values:
R R work R free
0.17 0.167 0.221
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

25 review citations

Sustained proliferation in cancer: Mechanisms and novel therapeutic targets.
Feitelson et al. (2015)
24 more

5 mentions without citation

Polypharmacology or Promiscuity? Structural Interactions of Resveratrol With Its Bandwagon of Targets.
Saqib et al. (2018)
4 more