Structure of PDB 3dnt Chain B Binding Site BS02

Receptor Information
>3dnt Chain B (length=419) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLVTWMNNQRVGELTKLANGAHTFKYAPEWLASRYARPLSLSLPLQRGNI
TSDAVFNFFDNLLPDSPIVRDRIVKRYHAKSRQPFDLLSEIGRDSVGAVT
LIPEDETVTHPIMAWEKLTEARLEEVLTAYKADIPLGMIREENDFRISVA
GAQEKTALLRIGNDWCIPKGITPTTHIIKLPQSVDNEYYCLLLAKELGLN
VPDAEIIKAGNVRALAVERFDRRWNAERTVLLRLPQEDMCQTFGLPSSVK
YESDGGPGIARIMAFLMGSSEALKDRYDFMKFQVFQWLIGATQGHAKNFS
VFIQAGGSYRLTPFYDIISAFPVLGGTGIHISDLKLAMGLNASKGKKTAI
DKIYPRHFLATAKVLRFPEVQMHEILSDFARMIPAALDNVKTSLPTDFPE
NVVTAVESNVLRLHGRLSR
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 chain3dnt Chain B Residue 442 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3dnt Molecular mechanisms of HipA-mediated multidrug tolerance and its neutralization by HipB.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		N314 D332
Binding residue
(residue number reindexed from 1)		N298 D316
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein kinase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0000976 transcription cis-regulatory region binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0004674 protein serine/threonine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0043565 sequence-specific DNA binding
GO:0044024 histone H2AS1 kinase activity
GO:0106310 protein serine kinase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0016310 phosphorylation
GO:0022611 dormancy process
GO:0040008 regulation of growth
GO:0044010 single-species biofilm formation
GO:0045892 negative regulation of DNA-templated transcription
GO:0046677 response to antibiotic
Cellular Component
GO:0005829 cytosol
GO:0032993 protein-DNA complex
GO:0110001 toxin-antitoxin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3dnt, PDBe:3dnt, PDBj:3dnt
PDBsum3dnt
PubMed19150849
UniProtP23874|HIPA_ECOLI Serine/threonine-protein kinase toxin HipA (Gene Name=hipA)

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