Structure of PDB 7r3e Chain A Binding Site BS01

Receptor Information
>7r3e Chain A (length=545) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGHMLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGISRDAEL
VWADLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVLASERTC
QAWKSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGEWLELGP
RHRLQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWRPLVFDD
MEAYLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTECLRLCRR
LLWRQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLEILSRQA
LPLDMRNDGGFLLWWDGLRSEMQPIHDSQGVFAVLEKEVRRLGFDYYAYG
VRHTIPFTRPKTEVHGTYPKAWLERYQMQNYGAVDPAILNGLRSSEMVVW
SDSLFDQSRMLWNEARDWGLCVGATLPIRAPNNLLSVLSVARDQQNISSF
EREEIRLRLRCMIELLTQKLTDLEHPMLMSNPVCLSHREREILQWTADGK
SSGEIAIILSISESTVNFHHKNIQKKFDAPNKTLAAAYAAALGLI
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain7r3e Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r3e Moonlighting chaperone activity of the enzyme PqsE contributes to RhlR-controlled virulence of Pseudomonas aeruginosa.
Resolution3.46 Å
Binding residue
(original residue number in PDB)		D73 H74 D178 H221
Binding residue
(residue number reindexed from 1)		D76 H77 D181 H224
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.2.32: 2-aminobenzoylacetyl-CoA thioesterase.
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:0016787 hydrolase activity
GO:0038023 signaling receptor activity
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0009372 quorum sensing
GO:0010467 gene expression
GO:0044550 secondary metabolite biosynthetic process
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:7r3e, PDBe:7r3e, PDBj:7r3e
PDBsum7r3e
PubMed36456567
UniProtP20581|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE);
P54292|RHLR_PSEAE HTH-type quorum-sensing regulator RhlR (Gene Name=rhlR)

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