› 3rdh

X-ray diffraction
2.39Å resolution

X-ray induced covalent inhibition of 14-3-3

Released:
DOI: 10.2210/pdb3rdh/pdb
PDB entry 3rdh coloured by chain, front view.
PDB entry 3rdh coloured by chain, side view.
PDB entry 3rdh coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor.
Zhao J, Du Y, Horton JR, Upadhyay AK, Lou B, Bai Y, Zhang X, Du L, Li M, Wang B, Zhang L, Barbieri JT, Khuri FR, Cheng X, Fu H
Proc Natl Acad Sci U S A 108 16212-6 (2011)
PMID: 21908710

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 248 amino acids
Theoretical weight: 28.06 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P63104 (Residues: 1-245; Coverage: 100%)
Gene name: YWHAZ
Sequence domains: 14-3-3 protein
Structure domains: 14-3-3 domain

Ligands and Environments

2 bound ligands:
Ligand 3RD 4 x 3RD
Ligand NI 4 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P65
Unit cell:
a: 94.745Å b: 94.745Å c: 237.862Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.235 0.235 0.286
Expression system: Escherichia coli

Quick links

Citations

15 review citations

Readout of epigenetic modifications.
Patel et al. (2013)
14 more

7 mentions without citation

Modulators of 14-3-3 Protein-Protein Interactions.
Stevers et al. (2018)
6 more