› 7b4b

X-ray diffraction
1.76Å resolution

Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human p53DBD-R273C mutant bound to MQ: R273C-MQ (I)

Released:
DOI: 10.2210/pdb7b4b/pdb
PDB 7b4b coloured by chain and viewed from the front.
PDB 7b4b coloured by chain and viewed from the side.
PDB 7b4b coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ).
Degtjarik O, Golovenko D, Diskin-Posner Y, Abrahmsén L, Rozenberg H, Shakked Z
Nat Commun 12 7057 (2021)
PMID: 34862374

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cellular tumor antigen p53 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 200 amino acids
Theoretical weight: 22.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04637 (Residues: 94-293; Coverage: 51%)
Gene names: P53, TP53
Sequence domains: P53 DNA-binding domain

Ligands and Environments

5 bound ligands:
Ligand ZN 4 x ZN
Ligand QN8 4 x QN8
Ligand QNN 6 x QNN
Ligand EDO 4 x EDO
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 68.73Å b: 70.686Å c: 85.107Å
α: 90° β: 90.29° γ: 90°
R-values:
R R work R free
0.18 0.18 0.218
Expression system: Escherichia coli BL21(DE3)

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