› 3fcj

X-ray diffraction
2.4Å resolution

Nitroalkane oxidase: mutant402N crystallized with nitroethane

Released:
DOI: 10.2210/pdb3fcj/pdb
PDB entry 3fcj coloured by chain, front view.
PDB entry 3fcj coloured by chain, side view.
PDB entry 3fcj coloured by chain, top view.
Source organism: Fusarium oxysporum
Primary publication:
Differential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reaction.
Major DT, Heroux A, Orville AM, Valley MP, Fitzpatrick PF, Gao J
Proc Natl Acad Sci U S A 106 20734-9 (2009)
PMID: 19926855

Function and Biology Details

Reaction catalysed: 
A nitroalkane + H(2)O + O(2) = an aldehyde or ketone + nitrite + 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-186827 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitroalkane oxidase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 438 amino acids
Theoretical weight: 48.09 KDa
Source organism: Fusarium oxysporum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8X1D8 (Residues: 2-439; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 4 x FAD
2 bound ligands:
Ligand NIE 4 x NIE
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P3221
Unit cell:
a: 108.763Å b: 108.763Å c: 340.897Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.197 0.251
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Perspective: Defining and quantifying the role of dynamics in enzyme catalysis.
Warshel et al. (2016)
3 more

2 mentions without citation

Nitroalkane oxidase: Structure and mechanism.
Fitzpatrick PF. (2017)
1 more