Structure of PDB 4yga Chain E Binding Site BS01

Receptor Information
>4yga Chain E (length=442) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKE
SLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRK
RFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRII
DFGLSTHFEASKKKIGTAYYIAPEVLHGTYDEKCDVWSTGVILYILLSGC
PPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRI
SARDALDHEWIQTYTKPSLDNAILNIRQFQQKLAQAALLYMGSKLTSQDE
TKELTAIFHKMDKNGDGQLDRAELIEGYKELMRMKGSMLDASAVEHEVDQ
VLDAVDFDKNGYIEYSEFVTVAMDRKTLLSRERLERAFRMFDSDNSGKIS
STELATIFGVSDTWKSVLSEVDKNNDGEVDFDEFQQMLLKLC
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 chain4yga Chain E Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yga Allosteric activation of apicomplexan calcium-dependent protein kinases.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		D368 N370 D372 Q374 E379
Binding residue
(residue number reindexed from 1)		D312 N314 D316 Q318 E323
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D174 K176 E178 N179 D195 T214
Catalytic site (residue number reindexed from 1) D130 K132 E134 N135 D151 T167
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:4yga, PDBe:4yga, PDBj:4yga
PDBsum4yga
PubMed26305940
UniProtQ9BJF5

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