Structure of PDB 3q5i Chain A Binding Site BS06

Receptor Information
>3q5i Chain A (length=470) Species: 5821 (Plasmodium berghei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRENLYFQGIAINPGMYVRKKEGKIGESYFKVRKLGSYGEVLLCKEKNGH
SEKAIKVIKKKFHEEIYNEISLLKSLDHPNIIKLFDVFEDKKYFYLVTEF
YEGGELFEQIINRHKFDECDAANIMKQILSGICYLHKHNIVHRDIKPENI
LLENKNSLLNIKIVDFGLSSFFSKDYKLRDRLGTAYYIAPEVLKKKYNEK
CDVWSCGVIMYILLCGYPPFGGQNDQDIIKKVEKGKYYFDFNDWKNISDE
AKELIKLMLTYDYNKRCTAEEALNSRWIKKYANNINKSDQKTLCGALSNM
RKFEGSQKLAQAAILFIGSKLTTLEERKELTDIFKKLDKNGDGQLDKKEL
IEGYNVLRNFKLGELKNVEEEVDNILKEVDFDKNGYIEYSEFISVCMDKQ
ILFSEERLRRAFNLFDTDKSGKITKEELANLFGLTSISEKTWNDVLGEAD
QNKDNMIDFDEFVSMMHKIC
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 chain3q5i Chain A Residue 528 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3q5i Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N195 D211
Binding residue
(residue number reindexed from 1)		N149 D165
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
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:0044024 histone H2AS1 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0035556 intracellular signal transduction
GO:0045727 positive regulation of translation
GO:0046777 protein autophosphorylation
GO:2000147 positive regulation of cell motility
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane
GO:0020002 host cell plasma membrane
GO:0020005 symbiont-containing vacuole membrane
GO:0031514 motile cilium

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3q5i, PDBe:3q5i, PDBj:3q5i
PDBsum3q5i
PubMed
UniProtA0A509AHB6|CDPK1_PLABA Calcium-dependent protein kinase 1 (Gene Name=CDPK1)

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