Structure analysis

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

X-ray diffraction
2.1Å resolution
Source organism: Roseburia inulinivorans
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

Assemblies

Assembly 1
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Multimeric state: homo dimer
Accessible surface area: 54893.93 Å2
Buried surface area: 4704.68 Å2
Dissociation area: 1,272.38 Å2
Dissociation energy (ΔGdiss): 8.06 kcal/mol
Dissociation entropy (TΔSdiss): 15.69 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-172771
Assembly 2 (preferred)
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Multimeric state: homo dimer
Accessible surface area: 55133.26 Å2
Buried surface area: 4152.66 Å2
Dissociation area: 1,277.13 Å2
Dissociation energy (ΔGdiss): 5.98 kcal/mol
Dissociation entropy (TΔSdiss): 15.69 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-172771

Macromolecules

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%)
Pfam:
InterPro:
CATH: Anaerobic Ribonucleotide-triphosphate Reductase Large Chain

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