› 4mdq

X-ray diffraction
2.12Å resolution

Structure of a novel submicromolar MDM2 inhibitor

Released:
DOI: 10.2210/pdb4mdq/pdb
PDB entry 4mdq coloured by chain, front view.
PDB entry 4mdq coloured by chain, side view.
PDB entry 4mdq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Transient protein states in designing inhibitors of the MDM2-p53 interaction.
Bista M, Wolf S, Khoury K, Kowalska K, Huang Y, Wrona E, Arciniega M, Popowicz GM, Holak TA, Dömling A
Structure 21 2143-51 (2013)
PMID: 24207125

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: 86 amino acids
Theoretical weight: 10.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q00987 (Residues: 25-110; Coverage: 18%)
Gene name: MDM2
Sequence domains: SWIB/MDM2 domain
Structure domains: SWIB/MDM2 domain

Ligands and Environments

1 bound ligand:
Ligand 28W 2 x 28W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P6522
Unit cell:
a: 53.52Å b: 53.52Å c: 122.27Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.186 0.185 0.221
Expression system: Escherichia coli

Quick links

Citations

5 review citations

The p53 Pathway: Origins, Inactivation in Cancer, and Emerging Therapeutic Approaches.
Joerger et al. (2016)
4 more

3 mentions without citation

How To Design a Successful p53-MDM2/X Interaction Inhibitor: A Thorough Overview Based on Crystal Structures.
Estrada-Ortiz et al. (2016)
2 more