› 5i2a

X-ray diffraction
2.1Å resolution

1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity

Released:
DOI: 10.2210/pdb5i2a/pdb
PDB entry 5i2a coloured by chain, front view.
PDB entry 5i2a coloured by chain, side view.
PDB entry 5i2a coloured by chain, top view.
Source organism: Roseburia inulinivorans
Primary publication:
1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
LaMattina JW, Keul ND, Reitzer P, Kapoor S, Galzerani F, Koch DJ, Gouvea IE, Lanzilotta WN
J Biol Chem 291 15515-26 (2016)
PMID: 27252380

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172771 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glycerol dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 843 amino acids
Theoretical weight: 94.11 KDa
Source organism: Roseburia inulinivorans
Expression system: Escherichia coli
UniProt:
  • Canonical: Q1A666 (Residues: 1-843; Coverage: 100%)
Sequence domains:
Structure domains: Anaerobic Ribonucleotide-triphosphate Reductase Large Chain

Ligands and Environments

2 bound ligands:
Ligand EDO 2 x EDO
Ligand PEG 5 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: C2221
Unit cell:
a: 138.206Å b: 183.225Å c: 228.339Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.154 0.152 0.183
Expression system: Escherichia coli

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Citations

6 review citations

Bacterial microcompartments.
Kerfeld et al. (2018)
5 more

1 mention without citation

1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
LaMattina et al. (2016)