› 1xp9

X-ray diffraction
1.8Å resolution

HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 18

Released:
DOI: 10.2210/pdb1xp9/pdb
PDB entry 1xp9 coloured by chain, front view.
PDB entry 1xp9 coloured by chain, side view.
PDB entry 1xp9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.
Blizzard TA, Dininno F, Morgan JD, Chen HY, Wu JY, Kim S, Chan W, Birzin ET, Yang YT, Pai LY, Fitzgerald PM, Sharma N, Li Y, Zhang Z, Hayes EC, Dasilva CA, Tang W, Rohrer SP, Schaeffer JM, Hammond ML
Bioorg Med Chem Lett 15 107-13 (2005)
PMID: 15582421

Function and Biology Details

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

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 Chain: A
Molecule details ›
Chain: A
Length: 248 amino acids
Theoretical weight: 28.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 307-554; Coverage: 42%)
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 AIJ 1 x AIJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P6522
Unit cell:
a: 58.64Å b: 58.64Å c: 275.77Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.187 not available 0.299
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

13 mentions without citation

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