Structure of PDB 6fal Chain B Binding Site BS01

Receptor Information
>6fal Chain B (length=97) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALGTRVRIVEELL
RGEMSQRELKNELGAGIATITRGSNYLKAAPVELRQWLEEVLLKSDL
Ligand information
Ligand IDIOP
InChIInChI=1S/C11H11NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2,(H,13,14)
InChIKeyGOLXRNDWAUTYKT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CCC(=O)O
CACTVS 3.341OC(=O)CCc1c[nH]c2ccccc12
FormulaC11 H11 N O2
NameINDOLYLPROPIONIC ACID
ChEMBLCHEMBL207225
DrugBankDB02758
ZINCZINC000000007700
PDB chain6fal Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fal Tryptophan Repressor TrpR from E.coli: A ligand binding study
Resolution1.2 Å
Binding residue
(original residue number in PDB)		R54 I57 T81 R84 G85
Binding residue
(residue number reindexed from 1)		R42 I45 T69 R72 G73
Annotation score1
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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Biological Process
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Cellular Component
External links
PDB RCSB:6fal, PDBe:6fal, PDBj:6fal
PDBsum6fal
PubMed
UniProtP0A881|TRPR_ECOLI Trp operon repressor (Gene Name=trpR)

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