Structure of PDB 7r3j Chain B Binding Site BS02

Receptor Information
>7r3j Chain B (length=301) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGISRDAELVWA
DLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVLASERTCQAW
KSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGEWLELGPRHR
LQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWRPLVFDDMEA
YLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTECLRLCRRLLW
RQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLEILSRQALPL
D
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 chain7r3j Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7r3j 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)		H69 H71 H74 H159 D178
Binding residue
(residue number reindexed from 1)		H69 H71 H74 H159 D178
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.2.32: 2-aminobenzoylacetyl-CoA thioesterase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0044550 secondary metabolite biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7r3j, PDBe:7r3j, PDBj:7r3j
PDBsum7r3j
PubMed36456567
UniProtP20581|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE)

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