› 6ax4

X-ray diffraction
1.45Å resolution

Plk-1 polo-box domain in complex with histidine N(tau)-cyclized Macrocycle 5b.

Released:
DOI: 10.2210/pdb6ax4/pdb
PDB entry 6ax4 coloured by chain, front view.
PDB entry 6ax4 coloured by chain, side view.
PDB entry 6ax4 coloured by chain, top view.
Source organisms:
Primary publication:
Histidine N(τ)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Hymel D, Grant RA, Tsuji K, Yaffe MB, Burke TR
Bioorg Med Chem Lett 28 3202-3205 (2018)
PMID: 30174151

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-156784 (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
histidine N(tau)-cyclized Macrocycle 5b Chain: C
Molecule details ›
Chain: C
Length: 5 amino acids
Theoretical weight: 864 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand AML 1 x AML
1 modified residue:
Ligand TPO 1 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 35.449Å b: 51.294Å c: 58.034Å
α: 90° β: 100.84° γ: 90°
R-values:
R R work R free
0.134 0.132 0.166
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Regulation of the SIAH2-HIF-1 Axis by Protein Kinases and Its Implication in Cancer Therapy.
Xu et al. (2021)
1 more

1 mention without citation

Histidine N(τ)-cyclized macrocycles as a new genre of polo-like kinase 1 polo-box domain-binding inhibitors.
Hymel et al. (2018)