Structure of PDB 7kgw Chain A Binding Site BS01

Receptor Information

>7kgw Chain A (length=299) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SHMLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGISRDAELV
WADLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVLASERTCQ
AWKSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGEWLELGPR
HRLQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWRPLVFDDM
EAYLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTECLRLCRRL
LWRQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLEILSRQA

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

7kgw Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	7kgw Inhibitor Mimetic Mutations in the Pseudomonas aeruginosa PqsE Enzyme Reveal a Protein-Protein Interaction with the Quorum-Sensing Receptor RhlR That Is Vital for Virulence Factor Production.
Resolution	1.99 Å
Binding residue (original residue number in PDB)	H69 H71 H74 H159 D178
Binding residue (residue number reindexed from 1)	H71 H73 H76 H161 D180
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

View graph for
Molecular Function

View graph for
Biological Process

External links

PDB	RCSB:7kgw, PDBe:7kgw, PDBj:7kgw
PDBsum	7kgw
PubMed	33793200
UniProt	P20581\|PQSE_PSEAE 2-aminobenzoylacetyl-CoA thioesterase (Gene Name=pqsE)

[Back to BioLiP]