› 6c42

X-ray diffraction
2Å resolution

Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1156

Released:
DOI: 10.2210/pdb6c42/pdb
PDB entry 6c42 coloured by chain, front view.
PDB entry 6c42 coloured by chain, side view.
PDB entry 6c42 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Fanning SW, Hodges-Gallagher L, Myles DC, Sun R, Fowler CE, Plant IN, Green BD, Harmon CL, Greene GL, Kushner PJ
Nat Commun 9 2368 (2018)
PMID: 29915250

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 85M 2 x 85M
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: C2
Unit cell:
a: 102.805Å b: 58.016Å c: 87.854Å
α: 90° β: 103.01° γ: 90°
R-values:
R R work R free
0.23 0.228 0.268
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

1 mention without citation

Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Fanning et al. (2018)