Structure of PDB 1l3l Chain A Binding Site BS03

Receptor Information
>1l3l Chain A (length=233) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QHWLDKLTDLAAIEGDECILKTGLADIADHFGFTGYAYLHIQHRHITAVT
NYHRQWQSTYFDKKFEALDPVVKRARSRKHIFTWSGEHERPTLSKDERAF
YDHASDFGIRSGITIPIKTANGFMSMFTMASDKPVIDLDREIDAVAAAAT
IGQIHARISFLRTTPTAEDAAWLDPKEATYLRWIAVGKTMEEIADVEGVK
YNSVRVKLREAMKRFDVRSKAHLTALAIRRKLI
Ligand information
Ligand IDLAE
InChIInChI=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
InChIKeyFXCMGCFNLNFLSH-JTQLQIEISA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1OCCC1NC(=O)CC(=O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(=O)CC(=O)NC1CCOC1=O
CACTVS 3.341CCCCCC(=O)CC(=O)N[CH]1CCOC1=O
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
FormulaC12 H19 N O4
Name3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE;
N-(3-OXO-OCTANAL-1-YL)-HOMOSERINE LACTONE
ChEMBLCHEMBL463321
DrugBankDB08081
ZINCZINC000004102231
PDB chain1l3l Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l3l Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		A38 L40 Y53 W57 Y61 D70 W85 F101 Y102 A105
Binding residue
(residue number reindexed from 1)		A37 L39 Y52 W56 Y60 D69 W84 F100 Y101 A104
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1l3l, PDBe:1l3l, PDBj:1l3l
PDBsum1l3l
PubMed12087407
UniProtP33905|TRAR_RHIRD Transcriptional activator protein TraR (Gene Name=traR)

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