Structure of PDB 2q0j Chain A Binding Site BS01

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 ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

2q0j Chain A Residue 997 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2q0j Structure elucidation and preliminary assessment of hydrolase activity of PqsE, the Pseudomonas quinolone signal (PQS) response protein.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	H69 H71 H74 H159 D178
Binding residue (residue number reindexed from 1)	H78 H80 H83 H168 D187
Annotation score	1

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:2q0j, PDBe:2q0j, PDBj:2q0j
PDBsum	2q0j
PubMed	19788310
UniProt	P20581\|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE)

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