› 6a0b

X-ray diffraction
1.65Å resolution

The crystal structure of Mandelate oxidase mutant Y128F with (R)-3,3,3-trifluoro-2-hydroxy-propionic acid

Released:
DOI: 10.2210/pdb6a0b/pdb
PDB entry 6a0b coloured by chain, front view.
PDB entry 6a0b coloured by chain, side view.
PDB entry 6a0b coloured by chain, top view.
Source organism: Amycolatopsis orientalis
Primary publication:
Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Lin KH, Lyu SY, Yeh HW, Li YS, Hsu NS, Huang CM, Wang YL, Shih HW, Wang ZC, Wu CJ, Li TL
Protein Sci 29 1655-1666 (2020)
PMID: 32362037

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:
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 9O0 1 x 9O0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL15A1
Spacegroup: I422
Unit cell:
a: 137.45Å b: 137.45Å c: 112.471Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.155 0.173
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

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