Structure of PDB 3tpt Chain B Binding Site BS03

Receptor Information
>3tpt Chain B (length=419) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLVTWMNNQRVGELTKLANGAHTFKYAPEWLASRYARPLSLSLPLQRGNI
TSDAVFNFFDNLLPDSPIVRDRIVKRYHAKSRQPFDLLSEIGRDSVGAVT
LIPEDETVTHPIMAWEKLTEARLEEVLTAYKADIPLGMIREENDFRISVA
GAQEKTALLRIGNDWCIPKGITPTTHIIKLPQSVDNEYYCLLLAKELGLN
VPDAEIIKAGNVRALAVERFDRRWNARRTVLLRLPQEDMCQTFGLPSSVK
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 chain3tpt 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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PDB3tpt Role of Unusual P Loop Ejection and Autophosphorylation in HipA-Mediated Persistence and Multidrug Tolerance.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		H311 N314 D332
Binding residue
(residue number reindexed from 1)		H295 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:3tpt, PDBe:3tpt, PDBj:3tpt
PDBsum3tpt
PubMed22999936
UniProtP23874|HIPA_ECOLI Serine/threonine-protein kinase toxin HipA (Gene Name=hipA)

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