› 5gs4

X-ray diffraction
2.4Å resolution

Crystal structure of estrogen receptor alpha in complex with a stabilized peptide antagonist

Released:
DOI: 10.2210/pdb5gs4/pdb
PDB entry 5gs4 coloured by chain, front view.
PDB entry 5gs4 coloured by chain, side view.
PDB entry 5gs4 coloured by chain, top view.
Source organisms:
Primary publication:
Structural Basis of Inhibition of ERα-Coactivator Interaction by High-Affinity N-Terminus Isoaspartic Acid Tethered Helical Peptides.
Xie M, Zhao H, Liu Q, Zhu Y, Yin F, Liang Y, Jiang Y, Wang D, Hu K, Qin X, Wang Z, Wu Y, Xu N, Ye X, Wang T, Li Z
J Med Chem 60 8731-8740 (2017)
PMID: 29045135

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136914 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 243 amino acids
Theoretical weight: 27.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 305-547; Coverage: 41%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
ARG-IAS-ILE-LEU-DNP-ARG-LEU-LEU-GLN Chain: B
Molecule details ›
Chain: B
Length: 10 amino acids
Theoretical weight: 1.11 KDa
Source organism: unidentified
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand PO4 2 x PO4
Ligand EST 1 x EST
2 modified residues:
Ligand IAS 1 x IAS
Ligand DNP 1 x DNP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-002+
Unit cell:
a: 57.272Å b: 61.246Å c: 69.385Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.225 0.282
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Monobodies as tool biologics for accelerating target validation and druggable site discovery.
Akkapeddi et al. (2021)
1 more

5 mentions without citation

Biosynthesis of Artemisia abyssinica Leaf Extract-Mediated Bimetallic ZnO-CuO Nanoparticles: Antioxidant, Anticancer, and Molecular Docking Studies.
Orshiso et al. (2023)
4 more