› 4whl

X-ray diffraction
2.71Å resolution

A New Class of Peptidomimetics Targeting the Polo-box Domain of Polo-like kinase 1

Released:
DOI: 10.2210/pdb4whl/pdb
PDB entry 4whl coloured by chain, front view.
PDB entry 4whl coloured by chain, side view.
PDB entry 4whl coloured by chain, top view.
Source organisms:
Primary publication:
A new class of peptidomimetics targeting the polo-box domain of Polo-like kinase 1.
Ahn M, Han YH, Park JE, Kim S, Lee WC, Lee SJ, Gunasekaran P, Cheong C, Shin SY, Kim HY, Ryu EK, Murugan RN, Kim NH, Bang JK
J Med Chem 58 294-304 (2015)
PMID: 25347203

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-156779 (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 BL21(DE3)
UniProt:
  • Canonical: P53350 (Residues: 371-603; Coverage: 39%)
Gene names: PLK, PLK1
Sequence domains: POLO box duplicated region
Structure domains: POLO box domain
C6H5(CH2)8-DERIVATIZED PEPTIDE INHIBITOR Chain: B
Molecule details ›
Chain: B
Length: 5 amino acids
Theoretical weight: 799 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 7A (6B, 6C1)
Spacegroup: P43212
Unit cell:
a: 57.76Å b: 57.76Å c: 137.568Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.185 0.182 0.245
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

4 review citations

Inhibitors of the Polo-Box Domain of Polo-Like Kinase 1.
Berg et al. (2016)
3 more