› 3dbe

X-ray diffraction
3.32Å resolution

Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 557

Released:
DOI: 10.2210/pdb3dbe/pdb
PDB entry 3dbe coloured by chain, front view.
PDB entry 3dbe coloured by chain, side view.
PDB entry 3dbe coloured by chain, top view.
Source organism: Danio rerio
Primary publication:
Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Fucini RV, Hanan EJ, Romanowski MJ, Elling RA, Lew W, Barr KJ, Zhu J, Yoburn JC, Liu Y, Fahr BT, Fan J, Lu Y, Pham P, Choong IC, VanderPorten EC, Bui M, Purkey HE, Evanchik MJ, Yang W
Bioorg Med Chem Lett 18 5648-52 (2008)
PMID: 18793847

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-175633 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase PLK Chain: A
Molecule details ›
Chain: A
Length: 301 amino acids
Theoretical weight: 34.44 KDa
Source organism: Danio rerio
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4KMI8 (Residues: 17-312; Coverage: 50%)
Gene names: cb525, cb636, ik:tdsubc_2d1, plk, plk1, wu:fb37g11, wu:fb76g03, xx:tdsubc_2d1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 4FR 1 x 4FR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: I23
Unit cell:
a: 136Å b: 136Å c: 136Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.232 0.27
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Plk1-targeted small molecule inhibitors: molecular basis for their potency and specificity.
Murugan et al. (2011)
1 more