› 4eat

X-ray diffraction
1.8Å resolution

Crystal structure of a benzoate coenzyme A ligase

Released:
DOI: 10.2210/pdb4eat/pdb
PDB entry 4eat coloured by chain, front view.
PDB entry 4eat coloured by chain, side view.
PDB entry 4eat coloured by chain, top view.
Source organism: Rhodopseudomonas palustris
Primary publication:
Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Thornburg CK, Wortas-Strom S, Nosrati M, Geiger JH, Walker KD
Biochemistry 54 6230-42 (2015)
PMID: 26378464

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188129 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Benzoate-coenzyme A 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
UniProt:
  • Canonical: Q93TK0 (Residues: 1-522; Coverage: 100%)
Gene name: badA
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand BEZ 2 x BEZ
Ligand EDO 2 x EDO
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P21
Unit cell:
a: 58.652Å b: 96.018Å c: 95.376Å
α: 90° β: 104.648° γ: 90°
R-values:
R R work R free
0.155 0.153 0.191
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Nonribosomal Peptide Synthesis-Principles and Prospects.
Süssmuth et al. (2017)
1 more

4 mentions without citation

Structural Insights into Anthranilate Priming during Type II Polyketide Biosynthesis.
Jackson et al. (2016)
3 more