› 6et0

X-ray diffraction
1.53Å resolution

Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 1)

Released:
DOI: 10.2210/pdb6et0/pdb
PDB entry 6et0 coloured by chain, front view.
PDB entry 6et0 coloured by chain, side view.
PDB entry 6et0 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Witzgall F, Depke T, Hoffmann M, Empting M, Brönstrup M, Müller R, Blankenfeldt W
Chembiochem 19 1531-1544 (2018)
PMID: 29722462

Function and Biology Details

Reaction catalysed: 
(1a) octanoyl-CoA + L-cysteinyl-[PqsC protein] = S-octanoyl-L-cysteinyl-[PqsC protein] + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191391 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
2-heptyl-4(1H)-quinolone synthase subunit PqsC Chains: A, C
Molecule details ›
Chains: A, C
Length: 365 amino acids
Theoretical weight: 40.32 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I4X1 (Residues: 1-348; Coverage: 100%)
Gene names: PA0998, pqsC
Sequence domains:
Structure domains: Peroxisomal Thiolase; Chain A, domain 1
2-heptyl-4(1H)-quinolone synthase subunit PqsB Chains: B, D
Molecule details ›
Chains: B, D
Length: 283 amino acids
Theoretical weight: 30.55 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I4X2 (Residues: 1-283; Coverage: 100%)
Gene names: PA0997, pqsB

Ligands and Environments

5 bound ligands:
Ligand SO4 15 x SO4
Ligand MRD 2 x MRD
Ligand MPD 2 x MPD
Ligand PEG 1 x PEG
Ligand EDO 1 x EDO
1 modified residue:
Ligand CSO 2 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P212121
Unit cell:
a: 61.666Å b: 141.356Å c: 170.662Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.14 0.14 0.158
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Quorum Sensing: A Prospective Therapeutic Target for Bacterial Diseases.
Jiang et al. (2019)
3 more