› 4zad

X-ray diffraction
2.46Å resolution

Structure of C. dubliensis Fdc1 with the prenylated-flavin cofactor in the iminium form.

Released:
DOI: 10.2210/pdb4zad/pdb
PDB 4zad coloured by chain and viewed from the front.
PDB 4zad coloured by chain and viewed from the side.
PDB 4zad coloured by chain and viewed from the top.
Source organism: Candida dubliniensis
Primary publication:
New cofactor supports α,β-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Payne KA, White MD, Fisher K, Khara B, Bailey SS, Parker D, Rattray NJ, Trivedi DK, Goodacre R, Beveridge R, Barran P, Rigby SE, Scrutton NS, Hay S, Leys D
OpenAccess logo Nature 522 497-501 (2015)
PMID: 26083754

Function and Biology Details

Reaction catalysed: 
4-coumarate = 4-vinylphenol + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ferulic acid decarboxylase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 513 amino acids
Theoretical weight: 57.74 KDa
Source organism: Candida dubliniensis
Expression system: Escherichia coli
UniProt:
  • Canonical: B9WJ66 (Residues: 1-513; Coverage: 100%)
Gene names: CD36_64160, FDC1
Sequence domains: 3-octaprenyl-4-hydroxybenzoate carboxy-lyase
Structure domains: Single alpha-helices involved in coiled-coils or other helix-helix interfaces

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand K 2 x K
Ligand 4LU 2 x 4LU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 91.97Å b: 64.55Å c: 96.05Å
α: 90° β: 91.07° γ: 90°
R-values:
R R work R free
0.208 0.205 0.256
Expression system: Escherichia coli

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Citations

11 review citations

Native roles of Baeyer-Villiger monooxygenases in the microbial metabolism of natural compounds.
Tolmie et al. (2019)
10 more