› 5dx3

X-ray diffraction
2.09Å resolution

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P3 and Estradiol

Released:
DOI: 10.2210/pdb5dx3/pdb
PDB entry 5dx3 coloured by chain, front view.
PDB entry 5dx3 coloured by chain, side view.
PDB entry 5dx3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Stapled Peptides with γ-Methylated Hydrocarbon Chains for the Estrogen Receptor/Coactivator Interaction.
Speltz TE, Fanning SW, Mayne CG, Fowler C, Tajkhorshid E, Greene GL, Moore TW
Angew Chem Int Ed Engl 55 4252-5 (2016)
PMID: 26928945

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-136909 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Estrogen receptor Chain: A
Molecule details ›
Chain: A
Length: 261 amino acids
Theoretical weight: 29.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 297-554; Coverage: 43%)
Gene names: ESR, ESR1, NR3A1
Sequence domains: Ligand-binding domain of nuclear hormone receptor
Structure domains: Retinoid X Receptor
Estrogen receptor Chain: B
Molecule details ›
Chain: B
Length: 261 amino acids
Theoretical weight: 29.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P03372 (Residues: 297-554; Coverage: 43%)
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: 13 amino acids
Theoretical weight: 1.43 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q15596 (Residues: 687-697; Coverage: 1%)
Gene names: BHLHE75, NCOA2, SRC2, TIF2

Ligands and Environments

2 bound ligands:
Ligand EST 2 x EST
Ligand CL 1 x CL
2 modified residues:
Ligand 5GM 2 x 5GM
Ligand MK8 2 x MK8

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 56.162Å b: 85.851Å c: 58.764Å
α: 90° β: 109.09° γ: 90°
R-values:
R R work R free
0.212 0.21 0.257
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

5 review citations

New Modalities for Challenging Targets in Drug Discovery.
Valeur et al. (2017)
4 more

3 mentions without citation

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery.
Ali et al. (2019)
2 more