› 7b4h

X-ray diffraction
1.39Å resolution

Structural basis of reactivation of oncogenic p53 mutants by a small molecule: methylene quinuclidinone (MQ). Human wild-type p53DBD bound to DNA and MQ: wt-DNA-MQ (III)

Released:
DOI: 10.2210/pdb7b4h/pdb
Model geometry
Fit model/data
PDB entry 7b4h coloured by chain, front view.
PDB entry 7b4h coloured by chain, side view.
PDB entry 7b4h coloured by chain, top view.
Source organisms:
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
OpenAccess logo Nat Commun 12 7057 (2021)
PMID: 34862374

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-279177 (preferred)
Entry contents:
1 distinct polypeptide molecule
1 distinct DNA molecule
Macromolecules (2 distinct):
Cellular tumor antigen p53 Chain: A
Molecule details ›
Chain: A
Length: 200 amino acids
Theoretical weight: 22.51 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
DNA target Chain: B
Molecule details ›
Chain: B
Length: 12 nucleotides
Theoretical weight: 3.66 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

6 bound ligands:
Ligand ZN 1 x ZN
Ligand ACT 1 x ACT
Ligand EDO 1 x EDO
Ligand QN8 2 x QN8
Ligand QNN 1 x QNN
Ligand FMT 4 x FMT
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 137.564Å b: 50.104Å c: 34.1Å
α: 90° β: 92.973° γ: 90°
R-values:
R R work R free
0.171 0.169 0.2
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

13 review citations

Drugging p53 in cancer: one protein, many targets.
Hassin et al. (2023)
12 more