› 8rbc

X-ray diffraction
2.06Å resolution

p53-Y220C Core Domain Covalently Bound to 3-amino-5-chloropyrazine-2,6-dicarbonitrile Soaked at 5 mM

Released:
DOI: 10.2210/pdb8rbc/pdb
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PDB entry 8rbc coloured by chain, front view.
PDB entry 8rbc coloured by chain, side view.
PDB entry 8rbc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Covalent Fragments Acting as Tyrosine Mimics for Mutant p53-Y220C Rescue by Nucleophilic Aromatic Substitution.
Klett T, Stahlecker J, Jaag S, Masberg B, Knappe C, Lämmerhofer M, Coles M, Stehle T, Boeckler FM
ACS Pharmacol Transl Sci 7 3984-3999 (2024)
PMID: 39698266

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:

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 BL21(DE3)
UniProt:
  • Canonical: P04637 (Residues: 94-312; Coverage: 56%)
Gene names: P53, TP53
Sequence domains: P53 DNA-binding domain

Ligands and Environments

4 bound ligands:
Ligand YM0 3 x YM0
Ligand EPE 3 x EPE
Ligand PEG 1 x PEG
Ligand ZN 2 x ZN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P212121
Unit cell:
a: 65.909Å b: 71.088Å c: 107.057Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.221 0.26
Expression system: Escherichia coli BL21(DE3)

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