› 6a0v

X-ray diffraction
1.39Å resolution

Mandelate oxidase mutant-Y128F with (S)-mandelic acid

Released:
DOI: 10.2210/pdb6a0v/pdb
PDB entry 6a0v coloured by chain, front view.
PDB entry 6a0v coloured by chain, side view.
PDB entry 6a0v coloured by chain, top view.
Source organism: Amycolatopsis orientalis
Primary publication:
The flavin mononucleotide cofactor in α-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Lyu SY, Lin KH, Yeh HW, Li YS, Huang CM, Wang YL, Shih HW, Hsu NS, Wu CJ, Li TL
OpenAccess logo Acta Crystallogr D Struct Biol 75 918-929 (2019)
PMID: 31588923

Function and Biology Details

Reaction catalysed: 
(S)-4-hydroxymandelate + O(2) = 2-(4-hydroxyphenyl)-2-oxoacetate + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129412 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
4-hydroxymandelate oxidase Chain: A
Molecule details ›
Chain: A
Length: 377 amino acids
Theoretical weight: 40.03 KDa
Source organism: Amycolatopsis orientalis
Expression system: Escherichia coli
UniProt:
  • Canonical: O52792 (Residues: 1-357; Coverage: 100%)
Gene name: hmo
Sequence domains: FMN-dependent dehydrogenase

Ligands and Environments


Cofactor: Ligand FMN 1 x FMN
1 bound ligand:
Ligand SMN 2 x SMN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE TPS 05A
Spacegroup: I422
Unit cell:
a: 137.845Å b: 137.845Å c: 111.833Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.184
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Lin et al. (2020)

2 mentions without citation

Biochemical and structural explorations of α-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Yeh et al. (2019)
1 more