› 4agq

X-ray diffraction
1.42Å resolution

Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5196

Released:
DOI: 10.2210/pdb4agq/pdb
PDB entry 4agq coloured by chain, front view.
PDB entry 4agq coloured by chain, side view.
PDB entry 4agq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Halogen-enriched fragment libraries as leads for drug rescue of mutant p53.
Wilcken R, Liu X, Zimmermann MO, Rutherford TJ, Fersht AR, Joerger AC, Boeckler FM
J Am Chem Soc 134 6810-8 (2012)
PMID: 22439615

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138105 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cellular tumor antigen p53 Chains: A, B
Molecule details ›
Chains: A, B
Length: 219 amino acids
Theoretical weight: 24.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04637 (Residues: 94-312; Coverage: 56%)
Gene names: P53, TP53
Sequence domains: P53 DNA-binding domain
Structure domains: Immunoglobulin-like

Ligands and Environments

2 bound ligands:
Ligand P96 2 x P96
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 65.038Å b: 71.242Å c: 104.938Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.192
Expression system: Escherichia coli

Quick links

Citations

20 review citations

The Halogen Bond.
Cavallo et al. (2016)
19 more

11 mentions without citation

Targeting p53 pathways: mechanisms, structures, and advances in therapy.
Wang et al. (2023)
10 more