› 5fll

X-ray diffraction
2.34Å resolution

Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW) from Bacillus subtilis in complex with a Pimeloyl-adenylate

Released:
DOI: 10.2210/pdb5fll/pdb
PDB entry 5fll coloured by chain, front view.
PDB entry 5fll coloured by chain, side view.
PDB entry 5fll coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Wang M, Moynié L, Harrison PJ, Kelly V, Piper A, Naismith JH, Campopiano DJ
Nat Chem Biol 13 660-667 (2017)
PMID: 28414710

Function and Biology Details

Reaction catalysed: 
ATP + 6-carboxyhexanoate + CoA = AMP + diphosphate + 6-carboxyhexanoyl-CoA
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156811 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-carboxyhexanoate--CoA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 260 amino acids
Theoretical weight: 29.67 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P53559 (Residues: 4-259; Coverage: 99%)
Gene names: BSU30240, bioW
Sequence domains: 6-carboxyhexanoate--CoA ligase

Ligands and Environments

3 bound ligands:
Ligand WAQ 2 x WAQ
Ligand PPV 2 x PPV
Ligand MG 4 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX
Spacegroup: P212121
Unit cell:
a: 50.117Å b: 78.105Å c: 165.818Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.199 0.234
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Ironing out siderophore biosynthesis: a review of non-ribosomal peptide synthetase (NRPS)-independent siderophore synthetases.
Carroll et al. (2018)
1 more

2 mentions without citation

Targeting adenylate-forming enzymes with designed sulfonyladenosine inhibitors.
Lux et al. (2019)
1 more