Structure of PDB 6v7x Chain B Binding Site BS01

Receptor Information
>6v7x Chain B (length=234) Species: 208963 (Pseudomonas aeruginosa UCBPP-PA14) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGFLELERSSGKLEWSAILQKMASDLGFSKILFGLLPKDSQDYENAFIVG
NYPAAWREHYDRAGYARVDPTVSHCTQSVLPIFWEPSIYQTRKQHEFFEE
ASAAGLVYGLTMPLHGARGELGALSLSVEAENRAEANRFMESVLPTLWML
KDYALQSGAGLAFEHPVSKPVVLTSREKEVLQWCAIGKTSWEISVICNCS
EANVNFHMGNIRRKFGVTSRRVAAIMAVNLGLIT
Ligand information
Ligand IDOHN
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyPHSRRHGYXQCRPU-AWEZNQCLSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)CC(=O)NC1CCOC1=O
ACDLabs 10.04O=C1OCCC1NC(=O)CC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)CC(=O)N[CH]1CCOC1=O
FormulaC16 H27 N O4
NameN-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE
ChEMBLCHEMBL8483
DrugBankDB08324
ZINCZINC000008436851
PDB chain6v7x Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6v7x A phage-encoded anti-activator inhibits quorum sensing in Pseudomonas aeruginosa.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		L36 I52 W60 Y64 D73 T75 V76 W88 L125 G126 S129
Binding residue
(residue number reindexed from 1)		L32 I48 W56 Y60 D69 T71 V72 W84 L121 G122 S125
Annotation score1
Binding affinityBindingDB: EC50=139nM
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
GO:0003700 DNA-binding transcription factor activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009372 quorum sensing
GO:0010468 regulation of gene expression
GO:0045893 positive regulation of DNA-templated transcription
GO:0051544 positive regulation of elastin biosynthetic process
GO:0060310 regulation of elastin catabolic process
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:6v7x, PDBe:6v7x, PDBj:6v7x
PDBsum6v7x
PubMed33412111
UniProtP25084|LASR_PSEAE Transcriptional activator protein LasR (Gene Name=lasR)

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