Structure of PDB 4yuq Chain B Binding Site BS01

Receptor Information
>4yuq Chain B (length=462) Species: 5802 (Eimeria tenella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLAATPGMFVQHSTAAFSDRYKGQRVLGKGSFGEVILCKDKVTGQEYAVK
VISKRQLLKEVELLKKLDHPNIMKLYEFFEDKGYFYLVTEVYTGGELFDE
IISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLENKRKDA
NIRIIDFGLSTHFESTKKMKDKIGTAYYIAPEVLHGTYDEKCDVWSTGVI
LYILLSGCPPFNGANEFDILKKVEKGKFTFDLPQWKKVSEPAKDLIRKML
AYVPTMRISARDALEHEWLKTTDDSIDVPSLESTILNIRQFQGTQKLAAA
ALLYMGSKLTTNEETVELNKIFQRMDKNGDGQLDKQELMEGYVELMKLKG
EDVSALDQSAIEFEVEQVLDAVDFDKNGFIEYSEFVTVAMDRKTLLSRQR
LERAFGMFDADGSGKISSSELATIFGVSEVDSETWRRVLAEVDRNNDGEV
DFEEFRQMLLKL
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 chain4yuq Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yuq CDPK is a druggable target in the apicomplexan parasite Eimeria
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D345 N347 D349 Q351 E356
Binding residue
(residue number reindexed from 1)		D326 N328 D330 Q332 E337
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D151 K153 E155 N156 D172 T191
Catalytic site (residue number reindexed from 1) D135 K137 E139 N140 D156 T175
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4yuq, PDBe:4yuq, PDBj:4yuq
PDBsum4yuq
PubMed
UniProtQ3HNM4

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