› 2yac

X-ray diffraction
2.2Å resolution

Crystal structure of Polo-like kinase 1 in complex with NMS-P937

Released:
DOI: 10.2210/pdb2yac/pdb
PDB entry 2yac coloured by chain, front view.
PDB entry 2yac coloured by chain, side view.
PDB entry 2yac coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor.
Beria I, Bossi RT, Brasca MG, Caruso M, Ceccarelli W, Fachin G, Fasolini M, Forte B, Fiorentini F, Pesenti E, Pezzetta D, Posteri H, Scolaro A, Re Depaolini S, Valsasina B
Bioorg Med Chem Lett 21 2969-74 (2011)
PMID: 21470862

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156787 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PLK1 Chain: A
Molecule details ›
Chain: A
Length: 311 amino acids
Theoretical weight: 35.65 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P53350 (Residues: 36-345; Coverage: 51%)
Gene names: PLK, PLK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 937 1 x 937
Ligand ZN 1 x ZN
Ligand TLA 1 x TLA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P3221
Unit cell:
a: 66.595Å b: 66.595Å c: 154.035Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.213 0.211 0.255
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

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

7 mentions without citation

Structure-Bioactivity Relationship for Benzimidazole Thiophene Inhibitors of Polo-Like Kinase 1 (PLK1), a Potential Drug Target in Schistosoma mansoni.
Long et al. (2016)
6 more