2cfc

X-ray diffraction
1.8Å resolution

structural basis for stereo selectivity in the (R)- and (S)- hydroxypropylethane thiosulfonate dehydrogenases

Released:

Function and Biology Details

Reaction catalysed:
2-(R)-hydroxypropyl-CoM + NAD(+) = 2-oxopropyl-CoM + NADH
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
PDBe Complex ID:
PDB-CPX-176382 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-(R)-hydroxypropyl-CoM dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 250 amino acids
Theoretical weight: 26.17 KDa
Source organism: Xanthobacter autotrophicus Py2
UniProt:
  • Canonical: Q56840 (Residues: 1-250; Coverage: 100%)
Gene names: Xaut_4868, xecD1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21
Unit cell:
a: 64.441Å b: 110.28Å c: 68.981Å
α: 90° β: 93.88° γ: 90°
R-values:
R R work R free
0.197 0.197 0.226