› 4alb

X-ray diffraction
3.03Å resolution

Structure of Phenolic Acid Decarboxylase from Bacillus subtilis: Tyr19Ala mutant in complex with coumaric acid

Released:
DOI: 10.2210/pdb4alb/pdb
PDB entry 4alb coloured by chain, front view.
PDB entry 4alb coloured by chain, side view.
PDB entry 4alb coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Mutational Analysis of Phenolic Acid Decarboxylase from Bacillus Subtilis (Bspad), which Converts Bio-Derived Phenolic Acids to Styrene Derivatives
Frank A, Eborall W, Hyde R, Hart S, Turkenburg JP, Grogan G
Catal Sci Technol 2 1568- (2012)

Function and Biology Details

Reaction catalysed: 
4-coumarate = 4-vinylphenol + CO(2)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126557 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenolic acid decarboxylase PadC Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 161 amino acids
Theoretical weight: 19.01 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O07006 (Residues: 1-161; Coverage: 100%)
Gene names: BSU34400, pad, padC, yveH
Sequence domains: Phenolic acid decarboxylase (PAD)
Structure domains: Lipocalin

Ligands and Environments

1 bound ligand:
Ligand HC4 3 x HC4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P3221
Unit cell:
a: 107.21Å b: 107.21Å c: 92.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.204 0.202 0.263
Expression system: Escherichia coli BL21(DE3)

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