› 1u3q

X-ray diffraction
2.4Å resolution

Crystal Structure of Estrogen Receptor beta complexed with CL-272

Released:
DOI: 10.2210/pdb1u3q/pdb
PDB entry 1u3q coloured by chain, front view.
PDB entry 1u3q coloured by chain, side view.
PDB entry 1u3q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
Malamas MS, Manas ES, McDevitt RE, Gunawan I, Xu ZB, Collini MD, Miller CP, Dinh T, Henderson RA, Keith JC, Harris HA
J Med Chem 47 5021-40 (2004)
PMID: 15456246

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187733 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Estrogen receptor beta Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 240 amino acids
Theoretical weight: 27.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q92731 (Residues: 261-500; Coverage: 45%)
Gene names: ESR2, ESTRB, NR3A2
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor

Ligands and Environments

1 bound ligand:
Ligand 272 4 x 272
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS
Spacegroup: P21
Unit cell:
a: 77.167Å b: 76.646Å c: 82.8Å
α: 90° β: 111.83° γ: 90°
R-values:
R R work R free
0.242 0.227 0.279
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

26 review citations

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

10 mentions without citation

A molecular docking study of phytochemical estrogen mimics from dietary herbal supplements.
Powers et al. (2015)
9 more