› 4hg7

X-ray diffraction
1.6Å resolution

Crystal Structure of an MDM2/Nutlin-3a complex

Released:
DOI: 10.2210/pdb4hg7/pdb
PDB entry 4hg7 coloured by chain, front view.
PDB entry 4hg7 coloured by chain, side view.
PDB entry 4hg7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The structure of an MDM2-Nutlin-3a complex solved by the use of a validated MDM2 surface-entropy reduction mutant.
Anil B, Riedinger C, Endicott JA, Noble ME
Acta Crystallogr D Biol Crystallogr 69 1358-66 (2013)
PMID: 23897459

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

Assemblies composition:
monomeric (preferred)
homo dimer
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: 97 amino acids
Theoretical weight: 11.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q00987 (Residues: 17-108; Coverage: 19%)
Gene name: MDM2
Sequence domains: SWIB/MDM2 domain
Structure domains: SWIB/MDM2 domain

Ligands and Environments

2 bound ligands:
Ligand NUT 1 x NUT
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P6522
Unit cell:
a: 71.45Å b: 71.45Å c: 104.204Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.173 0.215
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Medicinal Chemistry Strategies to Disrupt the p53-MDM2/MDMX Interaction.
Lemos et al. (2016)
17 other articles

24 mentions without citation

Structure-Based Design of Inhibitors of Protein-Protein Interactions: Mimicking Peptide Binding Epitopes.
Pelay-Gimeno et al. (2015)
23 more