Structure of PDB 7en5 Chain A Binding Site BS02

Receptor Information
>7en5 Chain A (length=190) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDSLEVIARKLNREKELALEQTCALLDYARLQKIIEVISKAPFIQITGLG
GSALVGRDLSFKLMKIGYRVAEADTHVQATVSQALKKGDVQIAISYSGSK
KEIVLCAEAARKQGATVIAITSLTDSPLRRLAHFTLDTVSGETEWRSSSM
STRTAQNSVTDLLFVGLVQLNDVESLKMIQRSSELTQRLK
Ligand information
Ligand IDMXE
InChIInChI=1S/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
InChIKeyXNWFRZJHXBZDAG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		COCCO
ACDLabs 10.04OCCOC
FormulaC3 H8 O2
Name2-METHOXYETHANOL
ChEMBLCHEMBL444144
DrugBankDB02806
ZINCZINC000001591817
PDB chain7en5 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7en5 Molecular basis for cell-wall recycling regulation by transcriptional repressor MurR in Escherichia coli.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		S154 M158 A165
Binding residue
(residue number reindexed from 1)		S60 M64 A71
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0097367 carbohydrate derivative binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:1901135 carbohydrate derivative metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7en5, PDBe:7en5, PDBj:7en5
PDBsum7en5
PubMed35640608
UniProtP77245|MURR_ECOLI HTH-type transcriptional regulator MurR (Gene Name=murR)

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