› 5oe3

X-ray diffraction
1.43Å resolution

Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1)

Released:
DOI: 10.2210/pdb5oe3/pdb
PDB entry 5oe3 coloured by chain, front view.
PDB entry 5oe3 coloured by chain, side view.
PDB entry 5oe3 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis.
Witzgall F, Ewert W, Blankenfeldt W
Chembiochem 18 2045-2055 (2017)
PMID: 28834007

Function and Biology Details

Reaction catalysed: 
ATP + anthranilate + CoA = AMP + diphosphate + anthraniloyl-CoA
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191393 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Anthranilate--CoA ligase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 407 amino acids
Theoretical weight: 44.4 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I4X3 (Residues: 1-399; Coverage: 77%)
Gene names: PA0996, pqsA
Sequence domains: AMP-binding enzyme

Ligands and Environments

5 bound ligands:
Ligand 3UK 4 x 3UK
Ligand PEG 9 x PEG
Ligand EDO 12 x EDO
Ligand ACT 1 x ACT
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 71.533Å b: 84.448Å c: 139.011Å
α: 90° β: 92.6° γ: 90°
R-values:
R R work R free
0.191 0.19 0.216
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Targeting the Pseudomonas quinolone signal quorum sensing system for the discovery of novel anti-infective pathoblockers.
Schütz et al. (2018)
2 more

8 mentions without citation

Siphonocholin isolated from red sea sponge Siphonochalina siphonella attenuates quorum sensing controlled virulence and biofilm formation.
Alam et al. (2020)
7 more