1zrr

Solution NMR

Residual Dipolar Coupling Refinement of Acireductone Dioxygenase from Klebsiella

Released:

Function and Biology Details

Reactions catalysed:
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + O(2) = 3-(methylthio)propanoate + formate + CO
1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + O(2) = 4-(methylthio)-2-oxobutanoate + formate
Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-195631 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acireductone dioxygenase Chain: A
Molecule details ›
Chain: A
Length: 179 amino acids
Theoretical weight: 20.22 KDa
Source organism: Klebsiella oxytoca
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9ZFE7 (Residues: 2-180; Coverage: 99%)
Gene names: masB, mtnD
Sequence domains: ARD/ARD' family
Structure domains: Jelly Rolls

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: combined torsional and cartesian dynamics simulated annealing with residual dipolar couplings, NOE, chemical shift and dihedral restraints
Expression system: Escherichia coli BL21(DE3)