› 2j5s

X-ray diffraction
1.57Å resolution

Structural of ABDH, a beta-diketone hydrolase from the Cyanobacterium Anabaena sp. PCC 7120 bound to (S)-3-oxocyclohexyl acetic acid

Released:
DOI: 10.2210/pdb2j5s/pdb
PDB entry 2j5s coloured by chain, front view.
PDB entry 2j5s coloured by chain, side view.
PDB entry 2j5s coloured by chain, top view.
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Primary publication:
Structural characterization of a beta-diketone hydrolase from the cyanobacterium Anabaena sp. PCC 7120 in native and product-bound forms, a coenzyme A-independent member of the crotonase suprafamily.
Bennett JP, Whittingham JL, Brzozowski AM, Leonard PM, Grogan G
Biochemistry 46 137-44 (2007)
PMID: 17198383

Function and Biology Details

Reaction catalysed: 
Nonane-4,6-dione + H(2)O = pentan-2-one + butanoate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187091 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-CoA hydratase/carnithine racemase Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 30.07 KDa
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q8YNV6 (Residues: 1-253; Coverage: 100%)
Gene name: alr4455
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

2 bound ligands:
Ligand KTA 2 x KTA
Ligand NI 2 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P63
Unit cell:
a: 80.387Å b: 80.387Å c: 125.882Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.14 0.138 0.17
Expression system: Escherichia coli BL21

Quick links

Citations

2 citation in other articles

Structural and biophysical characterization of BoxC from Burkholderia xenovorans LB400: a novel ring-cleaving enzyme in the crotonase superfamily.
Bains et al. (2009)
1 more

1 mention without citation

Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs).
Wang et al. (2013)