› 8bx0

X-ray diffraction
1.6Å resolution

fragment-linked stabilizer for ERa - 14-3-3 interaction (1074388)

Released:
DOI: 10.2210/pdb8bx0/pdb
PDB entry 8bx0 coloured by chain, front view.
PDB entry 8bx0 coloured by chain, side view.
PDB entry 8bx0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
From tethered to freestanding stabilizers of 14-3-3 protein-protein interactions via fragment linking.
Visser EJ, Jaishankar P, Sijbesma E, Pennings MAM, Vandenboorn EMF, Guillory X, Neitz RJ, Morrow J, Dutta S, Renslo AR, Brunsveld L, Arkin MR, Ottmann C
Angew Chem Int Ed Engl e202308004 (2023)
PMID: 37455289

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136921 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
14-3-3 protein sigma Chain: A
Molecule details ›
Chain: A
Length: 236 amino acids
Theoretical weight: 26.54 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P31947 (Residues: 1-231; Coverage: 93%)
Gene names: HME1, SFN
Sequence domains: 14-3-3 protein
Estrogen receptor Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 614 Da
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P03372 (Residues: 591-595; Coverage: 1%)
Gene names: ESR, ESR1, NR3A1

Ligands and Environments

1 bound ligand:
Ligand S2U 1 x S2U
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: C2221
Unit cell:
a: 81.945Å b: 112.28Å c: 62.486Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.17 0.196
Expression systems:
  • Escherichia coli
  • Not provided

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