› 2yii

X-ray diffraction
2.18Å resolution

Manipulating the regioselectivity of phenylalanine aminomutase: new insights into the reaction mechanism of MIO-dependent enzymes from structure-guided directed evolution

Released:
DOI: 10.2210/pdb2yii/pdb
PDB entry 2yii coloured by chain, front view.
PDB entry 2yii coloured by chain, side view.
PDB entry 2yii coloured by chain, top view.
Source organism: Taxus chinensis
Primary publication:
Mechanism-inspired engineering of phenylalanine aminomutase for enhanced β-regioselective asymmetric amination of cinnamates.
Wu B, Szymański W, Wybenga GG, Heberling MM, Bartsch S, de Wildeman S, Poelarends GJ, Feringa BL, Dijkstra BW, Janssen DB
Angew Chem Int Ed Engl 51 482-6 (2012)
PMID: 22113970

Function and Biology Details

Reactions catalysed: 
L-phenylalanine = trans-cinnamate + ammonia
L-phenylalanine = L-beta-phenylalanine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-179344 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylalanine aminomutase (L-beta-phenylalanine forming) Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 705 amino acids
Theoretical weight: 77.55 KDa
Source organism: Taxus chinensis
Expression system: Escherichia coli K-12
UniProt:
  • Canonical: Q68G84 (Residues: 1-687; Coverage: 100%)
Gene name: pam
Sequence domains: Aromatic amino acid lyase
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand BME 8 x BME
Ligand FMT 4 x FMT
Ligand GOL 1 x GOL
1 modified residue:
Ligand MDO 4 x MDO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 99.454Å b: 145.999Å c: 99.68Å
α: 90° β: 99.51° γ: 90°
R-values:
R R work R free
0.181 0.179 0.214
Expression system: Escherichia coli K-12

Quick links

Citations

4 review citations

Nonproteinogenic amino acid building blocks for nonribosomal peptide and hybrid polyketide scaffolds.
Walsh et al. (2013)
3 more