› 6a1n

X-ray diffraction
1.42Å resolution

Mandelate oxidase mutant-Y128F with (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid

Released:
DOI: 10.2210/pdb6a1n/pdb
PDB entry 6a1n coloured by chain, front view.
PDB entry 6a1n coloured by chain, side view.
PDB entry 6a1n 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
OpenAccess logo 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:
  • 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
2 bound ligands:
Ligand GOL 1 x GOL
Ligand 9O6 2 x 9O6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL15A1
Spacegroup: I422
Unit cell:
a: 138.156Å b: 138.156Å c: 111.838Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.169 0.187
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)