4ona Summary


Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1517

The structure was published by Zhang, Z., Ojo, K.K., Vidadala, R., et al., Verlinde, C.L.M.J., Van Voorhis, W.C., and Fan, E., in 2014 in a paper entitled "Potent and Selective Inhibitors of CDPK1 from T. gondii and C. parvum Based on a 5-Aminopyrazole-4-carboxamide Scaffold" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.4 Å and deposited in 2014.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Calmodulin-domain protein kinase 1. This molecule has the UniProt identifier Q9BJF5 (Q9BJF5_TOXGO)search. The sample contained 484 residues which is 94% of the natural sequence. Out of 484 residues 460 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Calmodulin-domain protein kinase 1 Q9BJF5 (30-507) (Q9BJF5_TOXGO)search Toxoplasma gondiisearch 94% 484 96%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q9BJF5 (30 - 507) Calmodulin-domain protein kinase 1 Toxoplasma gondii

Chain Sequence family (Pfam)
A (Q9BJF5) PF00069: Protein kinase domainsearch, PF13499: EF-hand domain pairsearch

Chain ID Biological process (GO) Molecular function (GO)
A (Q9BJF5) phosphorylationsearch protein phosphorylationsearch ATP bindingsearch transferase activity, transferring phosphorus-containing groupssearch protein kinase activitysearch calcium ion bindingsearch protein serine/threonine kinase activitysearch metal ion bindingsearch kinase activitysearch

Chain InterPro annotation
A Protein kinase domainsearch EF-hand domainsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Serine/threonine-protein kinase, active sitesearch Protein kinase-like domainsearch EF-hand domain pairsearch Protein kinase, ATP binding sitesearch EF-Hand 1, calcium-binding sitesearch