Structure of PDB 6f7g Chain A Binding Site BS01

Receptor Information
>6f7g Chain A (length=103) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QSPYSAAMAEQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALGT
RVRIVEELLRGEMSQRELKNELGAGIATITRGSNSLKAAPVELRQWLEEV
LLK
Ligand information
Ligand IDCVW
InChIInChI=1S/C11H14N2/c1-8-2-3-11-10(6-8)9(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyPYOUAIQXJALPKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ccc2[nH]cc(CCN)c2c1
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)c(c[nH]2)CCN
FormulaC11 H14 N2
Name2-(5-methyl-1~{H}-indol-3-yl)ethanamine
ChEMBLCHEMBL331241
DrugBank
ZINCZINC000000066085
PDB chain6f7g 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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PDB6f7g Tryptophan Repressor TrpR: A ligand specificity study
Resolution1.656 Å
Binding residue
(original residue number in PDB)		R54 T81 G85 S88
Binding residue
(residue number reindexed from 1)		R51 T78 G82 S85
Annotation score1
Binding affinityBindingDB: Kd=2.88e+4nM
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:6f7g, PDBe:6f7g, PDBj:6f7g
PDBsum6f7g
PubMed
UniProtP0A881|TRPR_ECOLI Trp operon repressor (Gene Name=trpR)

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