› 5xxk

X-ray diffraction
1.66Å resolution

Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids

Released:
DOI: 10.2210/pdb5xxk/pdb
PDB entry 5xxk coloured by chain, front view.
PDB entry 5xxk coloured by chain, side view.
PDB entry 5xxk coloured by chain, top view.
Source organisms:
Primary publication:
Structure-activity studies of Mdm2/Mdm4-binding stapled peptides comprising non-natural amino acids.
Chee SMQ, Wongsantichon J, Siau J, Thean D, Ferrer F, Robinson RC, Lane DP, Brown CJ, Ghadessy FJ
PLoS One 12 e0189379 (2017)
PMID: 29228061

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166320 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
E3 ubiquitin-protein ligase Mdm2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 122 amino acids
Theoretical weight: 13.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q00987 (Residues: 6-125; Coverage: 24%)
Gene name: MDM2
Sequence domains: SWIB/MDM2 domain
Structure domains: SWIB/MDM2 domain
Hydrocarbon stapled peptide THC-SER-PHE-0EH-GLU-TYR-6CW-ALA-LEU-LEU-MK8-NH2 Chains: C, D
Molecule details ›
Chains: C, D
Length: 12 amino acids
Theoretical weight: 1.5 KDa
Source organism: Phage display vector pTDisp
Expression system: Not provided

Ligands and Environments

No bound ligands
3 modified residues:
Ligand THC 2 x THC
Ligand 6CW 2 x 6CW
Ligand MK8 2 x MK8

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL13C1
Spacegroup: P21212
Unit cell:
a: 65.52Å b: 106.41Å c: 39.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.187 0.209
Expression systems:
  • Escherichia coli BL21
  • Not provided

Quick links

Citations

2 review citations

The long and the short of it: the MDM4 tail so far.
Haupt et al. (2019)
1 more

2 mentions without citation

Stapled Peptides Inhibitors: A New Window for Target Drug Discovery.
Ali et al. (2019)
1 more