› 6tij

X-ray diffraction
1.12Å resolution

Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid

Released:
DOI: 10.2210/pdb6tij/pdb
PDB entry 6tij coloured by chain, front view.
PDB entry 6tij coloured by chain, side view.
PDB entry 6tij coloured by chain, top view.
Source organism: Aspergillus niger
Primary publication:
Enzymatic C-H activation of aromatic compounds through CO2 fixation.
Aleku GA, Saaret A, Bradshaw-Allen RT, Derrington SR, Titchiner GR, Gostimskaya I, Gahloth D, Parker DA, Hay S, Leys D
Nat Chem Biol 16 1255-1260 (2020)
PMID: 32719558

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-106926 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ferulic acid decarboxylase 1 Chain: AAA
Molecule details ›
Chain: AAA
Length: 508 amino acids
Theoretical weight: 56.34 KDa
Source organism: Aspergillus niger
Expression system: Escherichia coli
UniProt:
  • Canonical: A2QHE5 (Residues: 1-500; Coverage: 100%)
Gene names: An03g06590, fdc1
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand MN 1 x MN
Ligand K 2 x K
Ligand BYN 1 x BYN
Ligand ICB 2 x ICB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21212
Unit cell:
a: 95.781Å b: 63.725Å c: 87.707Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.141 0.14 0.169
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Synthetic Enzyme-Catalyzed CO2 Fixation Reactions.
Aleku et al. (2021)
3 more