› 4x9r

X-ray diffraction
1.4Å resolution

PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3B

Released:
DOI: 10.2210/pdb4x9r/pdb
PDB entry 4x9r coloured by chain, front view.
PDB entry 4x9r coloured by chain, side view.
PDB entry 4x9r coloured by chain, top view.
Source organisms:
Primary publication:
Neighbor-directed histidine N (τ)-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Qian WJ, Park JE, Grant R, Lai CC, Kelley JA, Yaffe MB, Lee KS, Burke TR
Biopolymers 104 663-73 (2015)
PMID: 26152807

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156780 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine/threonine-protein kinase PLK1 Chain: A
Molecule details ›
Chain: A
Length: 237 amino acids
Theoretical weight: 27.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P53350 (Residues: 371-603; Coverage: 39%)
Gene names: PLK, PLK1
Sequence domains: POLO box duplicated region
Structure domains: POLO box domain
Phosphopeptide macrocycle 3B Chain: B
Molecule details ›
Chain: B
Length: 6 amino acids
Theoretical weight: 962 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
2 modified residues:
Ligand 4L0 1 x 4L0
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 37.813Å b: 50.979Å c: 57.59Å
α: 90° β: 100.24° γ: 90°
R-values:
R R work R free
0.151 0.149 0.179
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Recent Advances and New Strategies in Targeting Plk1 for Anticancer Therapy.
Lee et al. (2015)
2 more

3 mentions without citation

MCC1019, a selective inhibitor of the Polo-box domain of Polo-like kinase 1 as novel, potent anticancer candidate.
Abdelfatah et al. (2019)
2 more