› 5tv6

X-ray diffraction
2.46Å resolution

A. aeolicus BioW with pimelate

Released:
DOI: 10.2210/pdb5tv6/pdb
PDB entry 5tv6 coloured by chain, front view.
PDB entry 5tv6 coloured by chain, side view.
PDB entry 5tv6 coloured by chain, top view.
Source organism: Aquifex aeolicus
Primary publication:
The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Estrada P, Manandhar M, Dong SH, Deveryshetty J, Agarwal V, Cronan JE, Nair SK
Nat Chem Biol 13 668-674 (2017)
PMID: 28414711

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130513 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
6-carboxyhexanoate--CoA ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 240 amino acids
Theoretical weight: 27.68 KDa
Source organism: Aquifex aeolicus
Expression system: Escherichia coli
UniProt:
  • Canonical: O67575 (Residues: 1-240; Coverage: 100%)
Gene names: aq_1659, bioW
Sequence domains: 6-carboxyhexanoate--CoA ligase

Ligands and Environments

1 bound ligand:
Ligand PML 2 x PML
1 modified residue:
Ligand MSE 10 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: P212121
Unit cell:
a: 68.486Å b: 103.194Å c: 113.805Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.23
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Genomic Enzymology: Web Tools for Leveraging Protein Family Sequence-Function Space and Genome Context to Discover Novel Functions.
Gerlt JA. (2017)
3 more

2 mentions without citation

The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Estrada et al. (2017)
1 more