› 4j53

X-ray diffraction
2.5Å resolution

Crystal structure of PLK1 in complex with TAK-960

Released:
DOI: 10.2210/pdb4j53/pdb
PDB entry 4j53 coloured by chain, front view.
PDB entry 4j53 coloured by chain, side view.
PDB entry 4j53 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Nie Z, Feher V, Natala S, McBride C, Kiryanov A, Jones B, Lam B, Liu Y, Kaldor S, Stafford J, Hikami K, Uchiyama N, Kawamoto T, Hikichi Y, Matsumoto S, Amano N, Zhang L, Hosfield D, Skene R, Zou H, Cao X, Ichikawa T
Bioorg Med Chem Lett 23 3662-6 (2013)
PMID: 23664874

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156752 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PLK1 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 33.75 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P53350 (Residues: 38-330; Coverage: 49%)
Gene names: PLK, PLK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand ACT 1 x ACT
Ligand 1J4 1 x 1J4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P3221
Unit cell:
a: 66.649Å b: 66.649Å c: 153.96Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.18 0.24
Expression system: Spodoptera frugiperda

Quick links

Citations

9 review citations

Plk1 Inhibitors in Cancer Therapy: From Laboratory to Clinics.
Gutteridge et al. (2016)
8 more