Structure of PDB 3q5i Chain A Binding Site BS04

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 525 [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)		D464 D466 S468 K470 E475
Binding residue
(residue number reindexed from 1)		D416 D418 S420 K422 E427
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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