Brand  (β version)

PDB ID: 5W8R

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Ligands
Code Name Style Show Link
9XV 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1h-pyrazolo[3,4-D]pyrimidin-4-amine PoSSuM
CA Calcium ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 5W8R   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
Release Data : 2017-07-19
Compound :
mol_id molecule chains
1 Calmodulin-domain protein kinase 1 A
Source :
mol_id organism_scientific expression_system
1 Toxoplasma gondii  (taxid:5811) Escherichia coli  (taxid:562)
gene: CDPK1
expression_system_strain: BL21-CodonPlus(DE3)-RIL
expression_system_vector_type: plasmid
expression_system_plasmid: PET15-MHL
Authors : El Bakkouri, M., Lovato, D., Loppnau, P., Lin, Y.H., Rutaganaria, F., Lopez, M.S., Shokat, L., Bountra, C., Edwards, A.M., Arrowsmith, C.H., Sibley, D., Hui, R., Walker, J.R., Structural Genomics Consortium (SGC)
Keywords : CDPK, PARASITOLOGY, ATP-BINDING, KINASE, NUCLEOTIDE-BINDING, SERINE/THREONINE-PROTEIN KINASE, TRANSFERASE, STRUCTURAL GENOMICS, STRUCTURAL GENOMICS CONSORTIUM, SGC, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.20 Å )
Citation :

Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI

El Bakkouri, M.,Lovato, D.,Loppnau, P.  et al.
To be published 

Reaction

Chain : A
UniProt : Q9BJF5 (Q9BJF5_TOXGO)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 ARBA:ARBA00048679
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 ARBA:ARBA00047899
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000256 | ARBA:ARBA00001946
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