Structure of PDB 3akk Chain D Binding Site BS01

Receptor Information
>3akk Chain D (length=288) Species: 85963 (Helicobacter pylori J99) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTIDFTFCEINPKKGFGGANGNKISLFYNNELYMVKFPPKPYTNGCFSEY
VACHIVNSLGLKVQETLLGTYKNKIVVACKDFTTHQYELVDFLSLKNTMI
ELEKSGKDTNLNDVLYAIDNQHFIEPKVLKCFFWDMFVADTLLGNFDRHN
GNWGFLRASNSKEYQIAPIFDCGSCLYPQADDVVCQKVLSNIDELNARIY
NFPQSILKDDNDKKINYYDFLTQTNNKDCLDALLRIYPRIDMNKIHSIID
NTPFMSEIHKEFLHTMLDERKSKIIDVAHTRAIELSLQ
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 chain3akk Chain D Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3akk Helicobacter pylori proinflammatory protein up-regulates NF-kappaB as a cell-translocating Ser/Thr kinase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N160 D179
Binding residue
(residue number reindexed from 1)		N152 D171
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0000287 magnesium ion binding
GO:0004674 protein serine/threonine kinase activity
GO:0005524 ATP binding
GO:0044024 histone H2AS1 kinase activity
GO:0046872 metal ion binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0001819 positive regulation of cytokine production
GO:0006338 chromatin remodeling
GO:0016310 phosphorylation
GO:0033138 positive regulation of peptidyl-serine phosphorylation
GO:0051092 positive regulation of NF-kappaB transcription factor activity
GO:1901224 positive regulation of non-canonical NF-kappaB signal transduction
Cellular Component
GO:0005576 extracellular region
GO:0030430 host cell cytoplasm
GO:0042025 host cell nucleus
GO:0044164 host cell cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3akk, PDBe:3akk, PDBj:3akk
PDBsum3akk
PubMed21098302
UniProtQ9ZKJ5|CTKA_HELPJ Serine/threonine-protein kinase CtkA (Gene Name=ctkA)

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