› 2i0j

X-ray diffraction
2.9Å resolution

Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia

Released:
DOI: 10.2210/pdb2i0j/pdb
PDB entry 2i0j coloured by chain, front view.
PDB entry 2i0j coloured by chain, side view.
PDB entry 2i0j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Benzopyrans are selective estrogen receptor beta agonists with novel activity in models of benign prostatic hyperplasia.
Norman BH, Dodge JA, Richardson TI, Borromeo PS, Lugar CW, Jones SA, Chen K, Wang Y, Durst GL, Barr RJ, Montrose-Rafizadeh C, Osborne HE, Amos RM, Guo S, Boodhoo A, Krishnan V
J Med Chem 49 6155-7 (2006)
PMID: 17034120

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136919 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 244 amino acids
Theoretical weight: 27.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03372 (Residues: 304-547; Coverage: 41%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand I0G 4 x I0G
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P21
Unit cell:
a: 58.503Å b: 173.144Å c: 58.522Å
α: 90° β: 119.48° γ: 90°
R-values:
R R work R free
0.242 0.241 0.263
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Estrogen receptors: how do they signal and what are their targets.
Heldring et al. (2007)
7 more

10 mentions without citation

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