Structure of PDB 6f7f Chain D Binding Site BS01

Receptor Information

>6f7f Chain D (length=103) Species: 562 (Escherichia coli)

QSPYSAAMAEQRHQEWLRFVDLLKNAYQNDLHLPLLNLMLTPDEREALGT
RVRIVEELLRGEMSQRELKNELGAGIATITRGSNSLKAAPVELRQWLEEV
LLK

Ligand information

• Ligand ID: IOP
• InChI: InChI=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)
• InChIKey: GOLXRNDWAUTYKT-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)CCc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CCC(=O)O
  CACTVS 3.341: OC(=O)CCc1c[nH]c2ccccc12
• Formula: C11 H11 N O2
• Name: INDOLYLPROPIONIC ACID
• ChEMBL: CHEMBL207225
• DrugBank: DB02758
• ZINC: ZINC000000007700
• PDB chain: 6f7f Chain D Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6f7f Tryptophan Repressor TrpR: A study of ligand binding specificity
• Resolution: 2.128 Å
• Binding residue (original residue number in PDB): R54 I57 T81 R84 G85
• Binding residue (residue number reindexed from 1): R51 I54 T78 R81 G82
• Annotation score: 1

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

External links

• PDB: RCSB:6f7f, PDBe:6f7f, PDBj:6f7f
• PDBsum: 6f7f
• UniProt: P0A881|TRPR_ECOLI Trp operon repressor (Gene Name=trpR)