› 1t5d

X-ray diffraction
2.21Å resolution

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

Released:
DOI: 10.2210/pdb1t5d/pdb
PDB entry 1t5d coloured by chain, front view.
PDB entry 1t5d coloured by chain, side view.
PDB entry 1t5d coloured by chain, top view.
Source organism: Alcaligenes sp. AL3007
Primary publication:
Crystal structure of 4-chlorobenzoate:CoA ligase/synthetase in the unliganded and aryl substrate-bound states.
Gulick AM, Lu X, Dunaway-Mariano D
Biochemistry 43 8670-9 (2004)
PMID: 15236575

Function and Biology Details

Reaction catalysed: 
4-chlorobenzoate + CoA + ATP = 4-chlorobenzoyl-CoA + AMP + diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-184544 (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:
Ligand CA 1 x CA
Ligand 174 1 x 174
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

Quick links

Citations

5 review citations

Firefly luminescence: a historical perspective and recent developments.
Fraga H. (2008)
4 more

8 mentions without citation

Conformational dynamics in the Acyl-CoA synthetases, adenylation domains of non-ribosomal peptide synthetases, and firefly luciferase.
Gulick AM. (2009)
7 more