Structure of PDB 6on4 Chain B Binding Site BS01

Receptor Information
>6on4 Chain B (length=214) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLSEMVEEELEQMIRRREFGEGEQLPSERELMAFFNVGRPSVREALAALK
RKGLVQINNGERARVSRPSADTIIGELSGMAKDFLSHPGGIAHFEQLRLF
FESSLVRYAAEHATDEQIDLLAKALEINSQSLDNNAAFIRSDVDFHRVLA
EIPGNPIFMAIHVALLDWLIAARPTVTDQALHEHNNVSYQQHIAIVDAIR
RHDPDEADRALQSH
Ligand information
Ligand IDP4K
InChIInChI=1S/C30H62O15/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-25-26-44-29-30-45-28-27-43-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-31/h31H,2-30H2,1H3
InChIKeyWWPGFZAAWXFBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
ACDLabs 12.01OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
FormulaC30 H62 O15
Namepolyethylene glycol;
3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracontan-1-ol
ChEMBL
DrugBank
ZINC
PDB chain6on4 Chain B Residue 301 [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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PDB6on4 Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A100 L107 W198
Binding residue
(residue number reindexed from 1)		A70 L77 W168
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001046 core promoter sequence-specific DNA binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
GO:0031334 positive regulation of protein-containing complex assembly
GO:0045892 negative regulation of DNA-templated transcription
GO:2000143 negative regulation of DNA-templated transcription initiation

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Molecular Function
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Biological Process
External links
PDB RCSB:6on4, PDBe:6on4, PDBj:6on4
PDBsum6on4
PubMed23935044
UniProtP0A8W0|NANR_ECOLI HTH-type transcriptional repressor NanR (Gene Name=nanR)

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