Structure of PDB 4ysm Chain A Binding Site BS03

Receptor Information
>4ysm Chain A (length=475) Species: 5802 (Eimeria tenella) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLAATPGMFVQHSTAAFSDRYKGQRVLGKGSFGEVILCKDKVTGQEYAV
KVISKRQVKQKTDKELLLKEVELLKKLDHPNIMKLYEFFEDKGYFYLVTE
VYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPEN
LLLENKRKDANIRIIDFGLSTHFESTKKMKDKIGTAYYIAPEVLHGTYDE
KCDVWSTGVILYILLSGCPPFNGANEFDILKKVEKGKFTFDLPQWKKVSE
PAKDLIRKMLAYVPTMRISARDALEHEWLKTTDAATDSIDVPSLESTILN
IRQFQGTQKLAAAALLYMGSKLTTNEETVELNKIFQRMDKNGDGQLDKQE
LMEGYVELMKLKGEDVSALDQSAIEFEVEQVLDAVDFDKNGFIEYSEFVT
VAMDRKTLLSRQRLERAFGMFDADGSGKISSSELATIFGVSEVDSETWRR
VLAEVDRNNDGEVDFEEFRQMLLKL
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 chain4ysm Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ysm CDPK is a druggable target in the apicomplexan parasite Eimeria
Resolution3.19 Å
Binding residue
(original residue number in PDB)		D428 D430 S432 K434 E439
Binding residue
(residue number reindexed from 1)		D422 D424 S426 K428 E433
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D151 K153 E155 N156 D172 T191
Catalytic site (residue number reindexed from 1) D145 K147 E149 N150 D166 T185
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:4ysm, PDBe:4ysm, PDBj:4ysm
PDBsum4ysm
PubMed
UniProtQ3HNM4

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