› 4iui

X-ray diffraction
2.3Å resolution

Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with Dynamic WAY derivative, 4a

Released:
DOI: 10.2210/pdb4iui/pdb
PDB entry 4iui coloured by chain, front view.
PDB entry 4iui coloured by chain, side view.
PDB entry 4iui coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand-binding dynamics rewire cellular signaling via estrogen receptor-α.
Srinivasan S, Nwachukwu JC, Parent AA, Cavett V, Nowak J, Hughes TS, Kojetin DJ, Katzenellenbogen JA, Nettles KW
Nat Chem Biol 9 326-32 (2013)
PMID: 23524984

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136928 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Estrogen receptor Chains: A, B
Molecule details ›
Chains: A, B
Length: 247 amino acids
Theoretical weight: 28.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 303-549; Coverage: 42%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Nuclear receptor coactivator 2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 10 amino acids
Theoretical weight: 1.28 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 687-696; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P21
Unit cell:
a: 54.699Å b: 81.304Å c: 58.275Å
α: 90° β: 110.07° γ: 90°
R-values:
R R work R free
0.27 0.265 0.312
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

5 review citations

Unraveling structural mechanisms of allosteric drug action.
Nussinov et al. (2014)
4 more

3 mentions without citation

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