Plasmodium vivax cGMP-dependent protein kinase (PVX_084705) in complex with inhibitor 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Target ID:

PVX_084705

Deposition Date:

Monday 29th September 2014

Families:

Protein Kinase

Related Diseases:

Parasitic disease

Structure type:

protein-ligand

Download Coordinates:

Superceded by 5F0A

Authors:

Walker JR, Wernimont AK, He H, Seitova A, Loppnau P, Sibley LD, Graslund S, Hutchinson A, Bountra C, Weigelt J, Edwards AM, Arrowsmith CH, Hui R, El Bakkouri M

Site:

Toronto

4WJC

tabs

Structure Details

Plasmodium cGMP-dependent protein kinase contains a threonine gatekeeper, making it sensitive to a number of tyrosine kinase inhibitors. Herein, we present Plasmodium vivax PKG with a pyrazolopyrimidine inhibitor bound. As shown in the accompanying figure, the chlorophenoxy motif occupies the hydrophobic pocket conferred by the threonine gatekeeper. We have previously co-crystallized the same compound with Toxoplasma CDPK1, which contains a glycine in the same position.