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› 2y4o

X-ray diffraction
1.9Å resolution

Crystal Structure of PaaK2 in complex with phenylacetyl adenylate

Released:
DOI: 10.2210/pdb2y4o/pdb
Model geometry
Fit model/data
PDB entry 2y4o coloured by chain, front view.
PDB entry 2y4o coloured by chain, side view.
PDB entry 2y4o coloured by chain, top view.
Source organism: Burkholderia cenocepacia J2315
Primary publication:
Defining a structural and kinetic rationale for paralogous copies of phenylacetate-CoA ligases from the cystic fibrosis pathogen Burkholderia cenocepacia J2315.
Law A, Boulanger MJ
J Biol Chem 286 15577-85 (2011)
PMID: 21388965

Function and Biology Details

Reaction catalysed: 
2-phenylacetate + ATP + CoA = phenylacetyl-CoA + AMP + diphosphate.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110059 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylacetate-coenzyme A ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 443 amino acids
Theoretical weight: 48.38 KDa
Source organism: Burkholderia cenocepacia J2315
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B4EL89 (Residues: 1-440; Coverage: 100%)
Gene names: BCAM1711, paaK
Sequence domains:
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand MG 2 x MG
Ligand K 2 x K
Ligand DLL 2 x DLL
Ligand PEG 5 x PEG
Ligand BME 1 x BME
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 69.15Å b: 81.97Å c: 80.89Å
α: 90° β: 97.27° γ: 90°
R-values:
R R work R free
0.168 0.166 0.214
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Aerobic degradation of aromatic compounds.
Díaz et al. (2013)
7 other articles

9 mentions without citation

Molecular Mechanisms of Bacterial Bioluminescence.
Brodl et al. (2018)
8 more