Structure of PDB 1h0m Chain C Binding Site BS03

Receptor Information
>1h0m Chain C (length=228) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQHWLDKLTDLAAIEGDECILKTGLADIADHFGFTGYAYLHIQHRHITAV
TNYHRQWQSTYFDKKFEALDPVVKRARSRKHIFTWSGEHERPTLSKDERA
FYDHASDFGIRSGITIPIKTANGFMSMFTMASDKPVIDLDREIDAVAAAA
TIGQIHARISFLRTAAWLDPKEATYLRWIAVGKTMEEIADVEGVKYNSVR
VKLREAMKRFDVRSKAHLTALAIRRKLI
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 chain1h0m Chain C Residue 1235 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h0m The Crystal Structure of the Quorum Sensing Protein Trar Bound to its Autoinducer and Target DNA
Resolution3.0 Å
Binding residue
(original residue number in PDB)		L40 Y53 W57 Q58 Y61 D70 V72 W85 F101 Y102 A105 I110 T129
Binding residue
(residue number reindexed from 1)		L40 Y53 W57 Q58 Y61 D70 V72 W85 F101 Y102 A105 I110 T129
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:1h0m, PDBe:1h0m, PDBj:1h0m
PDBsum1h0m
PubMed12198141
UniProtP33905|TRAR_RHIRD Transcriptional activator protein TraR (Gene Name=traR)

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