Structure of PDB 2q0j Chain A Binding Site BS02

Receptor Information
>2q0j Chain A (length=310) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLVPRGSHMLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGI
SRDAELVWADLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVL
ASERTCQAWKSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGE
WLELGPRHRLQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWR
PLVFDDMEAYLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTEC
LRLCRRLLWRQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLE
ILSRQALPLD
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 chain2q0j Chain A Residue 998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2q0j Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D73 H74 D178 H221
Binding residue
(residue number reindexed from 1)		D82 H83 D187 H230
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:2q0j, PDBe:2q0j, PDBj:2q0j
PDBsum2q0j
PubMed19788310
UniProtP20581|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE)

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