1t5d

X-ray diffraction
2.21Å resolution

4-Chlorobenzoyl-CoA Ligase/Synthetase bound to 4-chlorobenzoate

Released:

Function and Biology Details

Reaction catalysed:
4-chlorobenzoate + CoA + ATP = 4-chlorobenzoyl-CoA + AMP + diphosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-chlorobenzoyl CoA ligase Chain: X
Molecule details ›
Chain: X
Length: 504 amino acids
Theoretical weight: 54.38 KDa
Source organism: Alcaligenes sp. AL3007
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8GN86 (Residues: 1-504; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3221
Unit cell:
a: 124.979Å b: 124.979Å c: 69.001Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.181 0.178 0.223
Expression system: Escherichia coli