Structure of PDB 6f9k Chain A Binding Site BS02

Receptor Information
>6f9k Chain A (length=106) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQSPYSAAMAEQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALG
TRVRIVEELLRGEMSQRELKNELGAGIATITRGSNSLKAAPVELRQWLEE
VLLKSD
Ligand information
Ligand IDD0Q
InChIInChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyHUNCSWANZMJLPM-JTQLQIEISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.385Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
CACTVS 3.385Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1
FormulaC12 H14 N2 O2
Name5-methyl-L-tryptophan
ChEMBL
DrugBank
ZINCZINC000000391256
PDB chain6f9k Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f9k Tryptophan Repressor TrpR from E.coli: A ligand binding study
Resolution1.399 Å
Binding residue
(original residue number in PDB)		Q3 S5 P6
Binding residue
(residue number reindexed from 1)		Q1 S3 P4
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:6f9k, PDBe:6f9k, PDBj:6f9k
PDBsum6f9k
PubMed
UniProtP0A881|TRPR_ECOLI Trp operon repressor (Gene Name=trpR)

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