Structure of PDB 3hx4 Chain A Binding Site BS01

Receptor Information
>3hx4 Chain A (length=467) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHLHATPGMFVQHSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAV
KVISKDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGEL
FDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKS
KDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHGTYDEKCDVWST
GVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIR
KMLTYVPSMRISARDALDHEWIQTYTKEQISVDVPSLDNAILNIRQFQGT
QKLAQAALLYMGSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKE
LMRMKGQDASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKT
LLSRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDK
NNDGEVDFDEFQQMLLK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3hx4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3hx4 Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D415 D417 N419 Y421 E423 E426
Binding residue
(residue number reindexed from 1)		D379 D381 N383 Y385 E387 E390
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D174 K176 E178 N179 D195 T214
Catalytic site (residue number reindexed from 1) D138 K140 E142 N143 D159 T178
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004683 calcium/calmodulin-dependent protein kinase activity
GO:0005509 calcium ion binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0009931 calcium-dependent protein serine/threonine kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0035556 intracellular signal transduction
GO:0046777 protein autophosphorylation
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3hx4, PDBe:3hx4, PDBj:3hx4
PDBsum3hx4
PubMed20436473
UniProtQ9BJF5

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