› 2yly

X-ray diffraction
3.2Å resolution

Sulfonamides as selective Estrogen Receptor beta Agonists.

Released:
DOI: 10.2210/pdb2yly/pdb
PDB entry 2yly coloured by chain, front view.
PDB entry 2yly coloured by chain, side view.
PDB entry 2yly coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Sulfonamides as selective oestrogen receptor β agonists.
Roberts LR, Armor D, Barker C, Bent A, Bess K, Brown A, Favor DA, Ellis D, Irving SL, MacKenny M, Phillips C, Pullen N, Stennett A, Strand L, Styles M
Bioorg Med Chem Lett 21 5680-3 (2011)
PMID: 21885279

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187733 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 240 amino acids
Theoretical weight: 27.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q92731 (Residues: 260-500; Coverage: 45%)
Gene names: ESR2, ESTRB, NR3A2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

2 bound ligands:
Ligand SU4 2 x SU4
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS
Spacegroup: I422
Unit cell:
a: 116.72Å b: 116.72Å c: 186.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.235 0.275
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.
Ng et al. (2014)
4 other articles

7 mentions without citation

Dioscin induces prostate cancer cell apoptosis through activation of estrogen receptor-β.
Tao et al. (2017)
6 more