› 7wkl

X-ray diffraction
1.88Å resolution

Crystal structure of dihydroxybenzoate decarboxylase mutant F296Y from Aspergillus oryzae in complex with catechol

Released:
DOI: 10.2210/pdb7wkl/pdb
PDB entry 7wkl coloured by chain, front view.
PDB entry 7wkl coloured by chain, side view.
PDB entry 7wkl coloured by chain, top view.
Source organism: Aspergillus oryzae
Primary publication:
The catalytic mechanism of direction-dependent interactions for 2,3-dihydroxybenzoate decarboxylase
Fan Y, Wu S, Shi J, Li X, Yang Y, Feng Y, Xue S
Appl. Microbiol. Biotechnol. 107 7451-7462 (2023)

Function and Biology Details

Reaction catalysed: 
2,3-dihydroxybenzoate = catechol + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160407 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2,3-dihydroxybenzoate decarboxylase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 339 amino acids
Theoretical weight: 39.06 KDa
Source organism: Aspergillus oryzae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P80402 (Residues: 1-338; Coverage: 100%)
Gene name: AO090005000447
Sequence domains: Amidohydrolase

Ligands and Environments

3 bound ligands:
Ligand MG 4 x MG
Ligand CAQ 4 x CAQ
Ligand SO4 4 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P212121
Unit cell:
a: 77.282Å b: 105.708Å c: 181.659Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.141 0.139 0.178
Expression system: Escherichia coli BL21(DE3)

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