› 3qy3

X-ray diffraction
1.75Å resolution

PA2801 protein, a putative Thioesterase from Pseudomonas aeruginosa

Released:
DOI: 10.2210/pdb3qy3/pdb
PDB entry 3qy3 coloured by chain, front view.
PDB entry 3qy3 coloured by chain, side view.
PDB entry 3qy3 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801.
Gonzalez CF, Tchigvintsev A, Brown G, Flick R, Evdokimova E, Xu X, Osipiuk J, Cuff ME, Lynch S, Joachimiak A, Savchenko A, Yakunin AF
Biochem J 444 445-55 (2012)
PMID: 22439787

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acyl-CoA thioesterase Chain: A
Molecule details ›
Chain: A
Length: 158 amino acids
Theoretical weight: 17.85 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9I042 (Residues: 1-134; Coverage: 100%)
Gene name: PA2801
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand CL 1 x CL
1 modified residue:
Ligand MSE 3 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: I222
Unit cell:
a: 53.816Å b: 58.907Å c: 85.509Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.169 0.165 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Enzyme promiscuity: engine of evolutionary innovation.
Pandya et al. (2014)
4 other articles

1 mention without citation

Structure and activity of the Pseudomonas aeruginosa hotdog-fold thioesterases PA5202 and PA2801.
Gonzalez et al. (2012)