› 5ak2

X-ray diffraction
2.19Å resolution

Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators.

Released:
DOI: 10.2210/pdb5ak2/pdb
PDB entry 5ak2 coloured by chain, front view.
PDB entry 5ak2 coloured by chain, side view.
PDB entry 5ak2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators.
Degorce SL, Bailey A, Callis R, De Savi C, Ducray R, Lamont G, MacFaul P, Maudet M, Martin S, Morgentin R, Norman RA, Peru A, Pink JH, Pl�� PA, Roberts B, Scott JS
J. Med. Chem. (2015)
PMID: 25790336

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
Molecule details ›
Chains: A, B
Length: 268 amino acids
Theoretical weight: 30.58 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 85Z 2 x 85Z
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND
Spacegroup: C2
Unit cell:
a: 106.07Å b: 51.29Å c: 83.31Å
α: 90° β: 91.45° γ: 90°
R-values:
R R work R free
0.214 0.212 0.262
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

2 mentions without citation

Novel Selective Estrogen Receptor Downregulators (SERDs) Developed against Treatment-Resistant Breast Cancer.
Xiong et al. (2017)
1 more