Structure of PDB 8b4a Chain D Binding Site BS01

Receptor Information
>8b4a Chain D (length=239) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDGGFLLWWDGLRSEMQPIHDSQGVFAVLEKEVRRLGFDYYAYGVRHTIP
FTRPKTEVHGTYPKAWLERYQMQNYGAVDPAILNGLRSSEMVVWSDSLFD
QSRMLWNEARDWGLCVGATLPIRAPNNLLSVLSVARDQQNISSFEREEIR
LRLRCMIELLTQKLTDLEHPMLMSNPVCLSHREREILQWTADGKSSGEIA
IILSISESTVNFHHKNIQKKFDAPNKTLAAAYAAALGLI
Ligand information
Ligand IDHL4
InChIInChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyVFFNZZXXTGXBOG-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.370
OpenEye OEToolkits 1.7.0		CCCC(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 1.7.0CCCC(=O)NC1CCOC1=O
ACDLabs 12.01O=C1OCCC1NC(=O)CCC
CACTVS 3.370CCCC(=O)N[CH]1CCOC1=O
FormulaC8 H13 N O3
NameN-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide;
N-butyryl-L-homoserine lactone
ChEMBLCHEMBL207316
DrugBank
ZINCZINC000004102230
PDB chain8b4a Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8b4a Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Resolution3.06 Å
Binding residue
(original residue number in PDB)		Y64 D81 I84 W96 S135
Binding residue
(residue number reindexed from 1)		Y62 D79 I82 W94 S133
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:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0038023 signaling receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009372 quorum sensing
GO:0010467 gene expression
GO:0045862 positive regulation of proteolysis
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:0046889 positive regulation of lipid biosynthetic process
GO:0062162 positive regulation of pyocyanine biosynthetic process
GO:1900378 positive regulation of secondary metabolite biosynthetic process
Cellular Component
GO:0005737 cytoplasm
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:8b4a, PDBe:8b4a, PDBj:8b4a
PDBsum8b4a
PubMed36456567
UniProtP54292|RHLR_PSEAE HTH-type quorum-sensing regulator RhlR (Gene Name=rhlR)

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