Structure of PDB 1h0m Chain B Binding Site BS03

Receptor Information

>1h0m Chain B (length=230) Species: 358 (Agrobacterium tumefaciens)

MQHWLDKLTDLAAIEGDECILKTGLADIADHFGFTGYAYLHIQHRHITAV
TNYHRQWQSTYFDKKFEALDPVVKRARSRKHIFTWSGEHERPTLSKDERA
FYDHASDFGIRSGITIPIKTANGFMSMFTMASDKPVIDIDAVAAAATIGQ
IHARISFLRTTPTAEDAAWLDPKEATYLRWIAVGKTMEEIADVEGVKYNS
VRVKLREAMKRFDVRSKAHLTALAIRRKLI

Ligand information

• Ligand ID: LAE
• InChI: InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
• InChIKey: FXCMGCFNLNFLSH-JTQLQIEISA-N
• SMILES:
  ACDLabs 10.04: O=C1OCCC1NC(=O)CC(=O)CCCCC
  OpenEye OEToolkits 1.5.0: CCCCCC(=O)CC(=O)NC1CCOC1=O
  CACTVS 3.341: CCCCCC(=O)CC(=O)N[CH]1CCOC1=O
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
• Formula: C12 H19 N O4
• Name: 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE;
  N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE
• ChEMBL: CHEMBL463321
• DrugBank: DB08081
• ZINC: ZINC000004102231
• PDB chain: 1h0m Chain B Residue 1235

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1h0m The Crystal Structure of the Quorum Sensing Protein Trar Bound to its Autoinducer and Target DNA
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): L40 Y53 W57 Y61 D70 W85 F101 Y102 I110 T129
• Binding residue (residue number reindexed from 1): L40 Y53 W57 Y61 D70 W85 F101 Y102 I110 T129
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0001216 DNA-binding transcription activator activity
• GO:0003677 DNA binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0009372 quorum sensing
• GO:0045893 positive regulation of DNA-templated transcription

Cellular Component

• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:1h0m, PDBe:1h0m, PDBj:1h0m
• PDBsum: 1h0m
• PubMed: 12198141
• UniProt: P33905|TRAR_RHIRD Transcriptional activator protein TraR (Gene Name=traR)