Structure of PDB 4qox Chain A Binding Site BS01

Receptor Information
>4qox Chain A (length=462) Species: 36329 (Plasmodium falciparum 3D7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLRPGMFIQNSNVVFNEQYKGIKILGKGSFGEVILSRDKHTGHEYAIKV
ISKKHVKRKTDKESLLREVELLKMLDHINIMKLYEFFEDNNYYYLVSDVY
TGGELFDEIISRKRFYEIDAARIIKQILSGITYMHKNNVVHRDLKPENIL
LETKNEDMIIKIIDFGLSTHFEYSKIGTAYYIAPDVLHGTYDEKCDIWSC
GVILYILLSGCPPFNGSNEYDILKKVEAGKYTFDLPQFKKISDKAKDLIK
KMLMYTSAVRISARDALEHEWIKMMTSKLELSIANIRQFQSTQKLAQAAL
LYMGSKLTTIDETKELTKIFKKMDKNGDGQLDRNELIIGYKELLKLKGET
SDLDNAAIEYEVDQILNSIDLDQNGYIEYSEFLTVSIDRKLLLSTERLEK
AFKLFDKDGSGKISANELAQLFGLSDVSSECWKTVLKEVDQNNDGEIDFK
EFRDMLVKLCNY
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4qox Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4qox Crystal Structure of CDPK4 from Plasmodium Falciparum, PF3D7_0717500
Resolution2.748 Å
Binding residue
(original residue number in PDB)		D389 N391 D393 Q395
Binding residue
(residue number reindexed from 1)		D324 N326 D328 Q330
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D193 K195 E197 N198 D215 T234
Catalytic site (residue number reindexed from 1) D143 K145 E147 N148 D164 T178
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004683 calcium/calmodulin-dependent protein kinase activity
GO:0004723 calcium-dependent protein serine/threonine phosphatase 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
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006468 protein phosphorylation
GO:0016310 phosphorylation
GO:0030154 cell differentiation
GO:0035556 intracellular signal transduction
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4qox, PDBe:4qox, PDBj:4qox
PDBsum4qox
PubMed
UniProtQ8IBS5|CDPK4_PLAF7 Calcium-dependent protein kinase 4 (Gene Name=CDPK4)

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