4b6l

X-ray diffraction
1.9Å resolution

Discovery of Oral Polo-Like Kinase (PLK) Inhibitors with Enhanced Selectivity Profile using Residue Targeted Drug Design

Released:
Source organism: Homo sapiens
Entry authors: Brown K, Charrier JD, Durrant S, Griffiths M, Hudson C, Kay D, Knegtel R, ODonnell M, Pierard F, Twin H, Weber P, Young S

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PLK3 Chain: A
Molecule details ›
Chain: A
Length: 281 amino acids
Theoretical weight: 32.22 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9H4B4 (Residues: 52-332; Coverage: 44%)
Gene names: CNK, FNK, PLK3, PRK
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.5
Spacegroup: C2
Unit cell:
a: 144.14Å b: 56.37Å c: 45.32Å
α: 90° β: 96.83° γ: 90°
R-values:
R R work R free
0.246 0.244 0.289
Expression system: Spodoptera frugiperda