X-ray diffraction
1.7Å resolution

Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP


Function and Biology Details

Reaction catalysed:
ATP + benzoate + CoA = AMP + diphosphate + benzoyl-CoA
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Benzoate-CoA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 524 amino acids
Theoretical weight: 56.79 KDa
Source organism: Rhodopseudomonas palustris
Expression system: Escherichia coli
  • Canonical: Q6NC13 (Residues: 1-523; Coverage: 100%)
Gene names: RPA0661, badA
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 58.615Å b: 95.611Å c: 95.706Å
α: 90° β: 104.53° γ: 90°
R R work R free
0.154 0.152 0.192
Expression system: Escherichia coli