PDBsum entry 3db8

Transferase

PDB id: 3db8

Contents

Protein chain

261 a.a. *

Ligands

1FR

* Residue conservation analysis

PDB id:

3db8

Name:

Transferase

Title:

Crystal structure of an activated (thr->asp) polo-like kinase 1 (plk1) catalytic domain in complex with compound 041

Structure:

Polo-like kinase 1. Chain: a. Fragment: plk1 kinase domain. Engineered: yes. Mutation: yes

Source:

Danio rerio. Zebra fish. Organism_taxid: 7955. Gene: plk1. Expressed in: escherichia coli.

Resolution:

3.15Å R-factor: 0.232 R-free: 0.274

Authors:

R.A.Elling,E.J.Hanan,W.Lew,M.J.Romanowski

Key ref:

E.J.Hanan et al. (2008). Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors. Bioorg Med Chem Lett, 18, 5186-5189. PubMed id: 18790636 DOI: 10.1016/j.bmcl.2008.08.091

Date:

30-May-08 Release date: 07-Oct-08

Protein chain

Q4KMI8  (Q4KMI8_DANRE) -  Serine/threonine-protein kinase PLK from Danio rerio

Seq: 595 a.a.

Struc: 261 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.11.21 - polo kinase.
• Reaction:
  1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H⁺
  2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H⁺

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1016/j.bmcl.2008.08.091

Bioorg Med Chem Lett 18:5186-5189 (2008)

PubMed id: 18790636

Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.

E.J.Hanan, R.V.Fucini, M.J.Romanowski, R.A.Elling, W.Lew, H.E.Purkey, E.C.VanderPorten, W.Yang.

ABSTRACT

A series of 2-amino-isoxazolopyridines was designed and synthesized as Polo-like kinase (Plk) inhibitors. Key SAR and crystallographic data are discussed. More advanced analogues inhibit Plk1 with good enzymatic activity and modest cell-based activity. Differential selectivity among the three Plk isoforms is observed.