› 5zai

X-ray diffraction
1.8Å resolution

Crystal structure of 3-Hydroxypropionyl-CoA dehydratase from Metallosphaera sedula

Released:
DOI: 10.2210/pdb5zai/pdb
PDB entry 5zai coloured by chain, front view.
PDB entry 5zai coloured by chain, side view.
PDB entry 5zai coloured by chain, top view.
Source organism: Metallosphaera sedula DSM 5348
Primary publication:
Structural Insight into Substrate Specificity of 3-Hydroxypropionyl-Coenzyme A Dehydratase from Metallosphaera sedula.
Lee D, Kim KJ
OpenAccess logo Sci Rep 8 10692 (2018)
PMID: 30013155

Function and Biology Details

Reaction catalysed: 
3-hydroxypropanoyl-CoA = acryloyl-CoA + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-107507 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxypropionyl-coenzyme A dehydratase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 259 amino acids
Theoretical weight: 28.35 KDa
Source organism: Metallosphaera sedula DSM 5348
Expression system: Escherichia coli
UniProt:
  • Canonical: A4YI89 (Residues: 1-259; Coverage: 100%)
Gene name: Msed_2001
Sequence domains: Enoyl-CoA hydratase/isomerase

Ligands and Environments

3 bound ligands:
Ligand COA 4 x COA
Ligand EDO 11 x EDO
Ligand GOL 10 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 7A (6B, 6C1)
Spacegroup: P21
Unit cell:
a: 84.685Å b: 130.17Å c: 84.791Å
α: 90° β: 119.57° γ: 90°
R-values:
R R work R free
0.186 0.183 0.229
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Convergent Evolution of a Promiscuous 3-Hydroxypropionyl-CoA Dehydratase/Crotonyl-CoA Hydratase in Crenarchaeota and Thaumarchaeota.
Liu et al. (2021)

3 mentions without citation

Structural Insight into Substrate Specificity of 3-Hydroxypropionyl-Coenzyme A Dehydratase from Metallosphaera sedula.
Lee et al. (2018)
2 more