Structure of PDB 5hio Chain A Binding Site BS02

Receptor Information
>5hio Chain A (length=301) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGISRDAELVW
ADLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVLASERTCQA
WKSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGEWLELGPRH
RLQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWRPLVFDDME
AYLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTECLRLCRRLL
WRQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLEILSRQALP
L
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 chain5hio Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hio Dissecting the Multiple Roles of PqsE in Pseudomonas aeruginosa Virulence by Discovery of Small Tool Compounds.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D73 H74 D178 H221
Binding residue
(residue number reindexed from 1)		D74 H75 D179 H222
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5hio, PDBe:5hio, PDBj:5hio
PDBsum5hio
PubMed27082157
UniProtP20581|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE)

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