› 5w9d

X-ray diffraction
1.65Å resolution

Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen

Released:
DOI: 10.2210/pdb5w9d/pdb
PDB entry 5w9d coloured by chain, front view.
PDB entry 5w9d coloured by chain, side view.
PDB entry 5w9d coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Maximov PY, Abderrahman B, Fanning SW, Sengupta S, Fan P, Curpan RF, Rincon DMQ, Greenland JA, Rajan SS, Greene GL, Jordan VC
Mol Pharmacol 94 812-822 (2018)
PMID: 29739819

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: 249 amino acids
Theoretical weight: 28.36 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 306-554; 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 9XY 2 x 9XY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P65
Unit cell:
a: 57.98Å b: 57.98Å c: 277.001Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.169 0.168 0.195
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Next-Generation ERĪ± Inhibitors for Endocrine-Resistant ER+ Breast Cancer.
Fanning et al. (2019)
1 more

2 mentions without citation

Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Maximov et al. (2018)
1 more