› 5fqs

X-ray diffraction
1.94Å resolution

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.

Released:
DOI: 10.2210/pdb5fqs/pdb
PDB entry 5fqs coloured by chain, front view.
PDB entry 5fqs coloured by chain, side view.
PDB entry 5fqs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Scott JS, Bailey A, Davies RD, Degorce SL, MacFaul PA, Gingell H, Moss T, Norman RA, Pink JH, Rabow AA, Roberts B, Smith PD
ACS Med Chem Lett 7 94-9 (2016)
PMID: 26819673

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 Chain: A
Molecule details ›
Chain: A
Length: 248 amino acids
Theoretical weight: 28.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 J0W 1 x J0W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND
Spacegroup: P6522
Unit cell:
a: 58.379Å b: 58.379Å c: 275.733Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.184 0.223
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Targeted Protein Degradation by Small Molecules.
Bondeson et al. (2017)
4 more

3 mentions without citation

Pocket similarity identifies selective estrogen receptor modulators as microtubule modulators at the taxane site.
Lo et al. (2019)
2 more