Structure of PDB 6ejw Chain A Binding Site BS01

Receptor Information
>6ejw Chain A (length=101) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPYSAAMAEQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALGTR
VRIVEELLRGEMSQRELKNELGAGIATITRGSNSLKAAPVELRQWLEEVL
L
Ligand information
Ligand IDIAC
InChIInChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
InChIKeySEOVTRFCIGRIMH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CC(=O)O
ACDLabs 12.01O=C(O)Cc2c1ccccc1nc2
CACTVS 3.370OC(=O)Cc1c[nH]c2ccccc12
FormulaC10 H9 N O2
Name1H-INDOL-3-YLACETIC ACID;
INDOLE ACETIC ACID
ChEMBLCHEMBL82411
DrugBankDB07950
ZINCZINC000000083860
PDB chain6ejw Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ejw Auxin Sensor based on the Tryptophan Repressor TrpR
Resolution1.99 Å
Binding residue
(original residue number in PDB)
R54 I57 T81 R84 G85
Binding residue
(residue number reindexed from 1)
R50 I53 T77 R80 G81
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm

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Molecular Function

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Cellular Component
External links
PDB RCSB:6ejw, PDBe:6ejw, PDBj:6ejw
PDBsum6ejw
PubMed
UniProtP0A881|TRPR_ECOLI Trp operon repressor (Gene Name=trpR)

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