› 6y18

X-ray diffraction
1.3Å resolution

Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3

Released:
DOI: 10.2210/pdb6y18/pdb
PDB entry 6y18 coloured by chain, front view.
PDB entry 6y18 coloured by chain, side view.
PDB entry 6y18 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Sijbesma E, Somsen BA, Miley GP, Leijten-van de Gevel IA, Brunsveld L, Arkin MR, Ottmann C
OpenAccess logo ACS Chem Biol 15 3143-3148 (2020)
PMID: 33196173

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152132 (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: 26.55 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-related receptor gamma Chain: B
Molecule details ›
Chain: B
Length: 9 amino acids
Theoretical weight: 1.22 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P62508 (Residues: 174-182; Coverage: 2%)
Gene names: ERR3, ERRG2, ESRRG, KIAA0832, NR3B3

Ligands and Environments

3 bound ligands:
Ligand MG 1 x MG
Ligand CL 1 x CL
Ligand O68 1 x O68
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2221
Unit cell:
a: 82.255Å b: 111.967Å c: 62.613Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.182
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Fragment-to-Lead Medicinal Chemistry Publications in 2020.
de Esch et al. (2022)
1 more

1 mention without citation

Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Sijbesma et al. (2020)