› 6ggn

X-ray diffraction
2Å resolution

In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor

Released:
DOI: 10.2210/pdb6ggn/pdb
PDB entry 6ggn coloured by chain, front view.
PDB entry 6ggn coloured by chain, side view.
PDB entry 6ggn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
In vitro and in vivo characterization of a novel, highly potent p53-MDM2 inhibitor.
Vaupel A, Holzer P, Ferretti S, Guagnano V, Kallen J, Mah R, Masuya K, Ruetz S, Rynn C, Schlapbach A, Stachyra T, Stutz S, Todorov M, Jeay S, Furet P
Bioorg Med Chem Lett 28 3404-3408 (2018)
PMID: 30217415

Function and Biology Details

Reaction catalysed: 
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L-cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine
Biochemical function:
  • not assigned
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169499 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E3 ubiquitin-protein ligase Mdm2 Chain: A
Molecule details ›
Chain: A
Length: 96 amino acids
Theoretical weight: 11.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00987 (Residues: 17-111; Coverage: 19%)
Gene name: MDM2
Sequence domains: SWIB/MDM2 domain
Structure domains: SWIB/MDM2 domain

Ligands and Environments

2 bound ligands:
Ligand EYH 1 x EYH
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P6122
Unit cell:
a: 56.08Å b: 56.08Å c: 106.698Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.222 0.221 0.23
Expression system: Escherichia coli BL21

Quick links

Citations

2 review citations

Targeting p53-MDM2 interaction by small-molecule inhibitors: learning from MDM2 inhibitors in clinical trials.
Zhu et al. (2022)
1 more

5 mentions without citation

Small-molecule MDM2/X inhibitors and PROTAC degraders for cancer therapy: advances and perspectives.
Fang et al. (2020)
4 more