› 6fna

X-ray diffraction
2.12Å resolution

Mono- and bivalent 14-3-3 inhibitors for characterizing supramolecular lysine-PEG interactions in proteins

Released:
DOI: 10.2210/pdb6fna/pdb
PDB entry 6fna coloured by chain, front view.
PDB entry 6fna coloured by chain, side view.
PDB entry 6fna coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mono- and Bivalent 14-3-3 Inhibitors for Characterizing Supramolecular "Lysine Wrapping" of Oligoethylene Glycol (OEG) Moieties in Proteins.
Yilmaz E, Bier D, Guillory X, Briels J, Ruiz-Blanco YB, Sanchez-Garcia E, Ottmann C, Kaiser M
Chemistry 24 13807-13814 (2018)
PMID: 29924885

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158969 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
14-3-3 protein zeta/delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 230 amino acids
Theoretical weight: 26.32 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P63104 (Residues: 1-230; Coverage: 94%)
Gene name: YWHAZ
Sequence domains: 14-3-3 protein
Structure domains: 14-3-3 domain

Ligands and Environments

5 bound ligands:
Ligand DWE 2 x DWE
Ligand BEZ 2 x BEZ
Ligand CA 2 x CA
Ligand CL 4 x CL
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P212121
Unit cell:
a: 72.035Å b: 102.888Å c: 113.627Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.236
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

A Supramolecular Stabilizer of the 14-3-3ζ/ERα Protein-Protein Interaction with a Synergistic Mode of Action.
Gigante et al. (2020)
1 more