› 8dug

X-ray diffraction
2.2Å resolution

Estrogen Receptor Alpha Ligand Binding Domain in Complex with (6'-hydroxy-1'-(4-(2-((S)-3-methylpyrrolidin-1-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone

Released:
DOI: 10.2210/pdb8dug/pdb
PDB entry 8dug coloured by chain, front view.
PDB entry 8dug coloured by chain, side view.
PDB entry 8dug coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells.
Hancock GR, Young KS, Hosfield DJ, Joiner C, Sullivan EA, Yildiz Y, Lainé M, Greene GL, Fanning SW
OpenAccess logo NPJ Breast Cancer 8 130 (2022)
PMID: 36517522

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: 255 amino acids
Theoretical weight: 29.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 301-554; Coverage: 43%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

1 bound ligand:
Ligand TVF 2 x TVF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: C2
Unit cell:
a: 103.133Å b: 57.224Å c: 87.687Å
α: 90° β: 103.89° γ: 90°
R-values:
R R work R free
0.194 0.191 0.25
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Editorial: Hormone resistance in cancer.
Phoenix et al. (2023)