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

X-ray diffraction
1.9Å resolution
PDB entry 4b6l coloured by chain, front view.
PDB entry 4b6l coloured by chain, side view.
PDB entry 4b6l coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Serine/threonine-protein kinase PLK3
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Multimeric state: monomeric
Accessible surface area: 13237.44 Å2
Buried surface area: 199.67 Å2
Dissociation area: 99.84 Å2
Dissociation energy (ΔGdiss): 15.92 kcal/mol
Dissociation entropy (TΔSdiss): 0.61 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-190608

Macromolecules

Serine/threonine-protein kinase PLK3
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
Pfam: Protein kinase domain
InterPro:
CATH:
Serine/threonine-protein kinase PLK3 in PDB entry 4b6l, assembly 1, front view.
Serine/threonine-protein kinase PLK3 in PDB entry 4b6l, assembly 1, side view.
Serine/threonine-protein kinase PLK3 in PDB entry 4b6l, assembly 1, top view.
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