› 1xqc

X-ray diffraction
2.05Å resolution

X-ray structure of ERalpha LBD bound to a tetrahydroisoquinoline SERM ligand at 2.05A resolution

Released:
DOI: 10.2210/pdb1xqc/pdb
PDB entry 1xqc coloured by chain, front view.
PDB entry 1xqc coloured by chain, side view.
PDB entry 1xqc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands.
Renaud J, Bischoff SF, Buhl T, Floersheim P, Fournier B, Geiser M, Halleux C, Kallen J, Keller H, Ramage P
J Med Chem 48 364-79 (2005)
PMID: 15658851

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 254 amino acids
Theoretical weight: 28.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 301-553; Coverage: 43%)
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 AEJ 4 x AEJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM1A
Spacegroup: P21
Unit cell:
a: 55.114Å b: 156.569Å c: 58.962Å
α: 90° β: 90.35° γ: 90°
R-values:
R R work R free
0.213 0.211 0.254
Expression system: Escherichia coli

Quick links

Citations

8 review citations

Estrogen receptors: how do they signal and what are their targets.
Heldring et al. (2007)
7 more

9 mentions without citation

Versatility or promiscuity: the estrogen receptors, control of ligand selectivity and an update on subtype selective ligands.
Ng et al. (2014)
8 more