› 3zvh

X-ray diffraction
1.99Å resolution

Methylaspartate ammonia lyase from Clostridium tetanomorphum mutant Q73A

Released:
DOI: 10.2210/pdb3zvh/pdb
PDB entry 3zvh coloured by chain, front view.
PDB entry 3zvh coloured by chain, side view.
PDB entry 3zvh coloured by chain, top view.
Source organism: Clostridium tetanomorphum
Primary publication:
Engineering methylaspartate ammonia lyase for the asymmetric synthesis of unnatural amino acids.
Raj H, Szymański W, de Villiers J, Rozeboom HJ, Veetil VP, Reis CR, de Villiers M, Dekker FJ, de Wildeman S, Quax WJ, Thunnissen AM, Feringa BL, Janssen DB, Poelarends GJ
Nat Chem 4 478-84 (2012)
PMID: 22614383

Function and Biology Details

Reaction catalysed: 
L-threo-3-methylaspartate = mesaconate + NH(3)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170212 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Methylaspartate ammonia-lyase Chain: A
Molecule details ›
Chain: A
Length: 438 amino acids
Theoretical weight: 48.45 KDa
Source organism: Clostridium tetanomorphum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q05514 (Residues: 1-413; Coverage: 100%)
Sequence domains:
Structure domains:
Methylaspartate ammonia-lyase Chain: B
Molecule details ›
Chain: B
Length: 438 amino acids
Theoretical weight: 48.48 KDa
Source organism: Clostridium tetanomorphum
Expression system: Escherichia coli
UniProt:
  • Canonical: Q05514 (Residues: 1-413; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 2 x MG
Ligand GOL 5 x GOL
Ligand CL 1 x CL
2 modified residues:
Ligand CSO 1 x CSO
Ligand OCS 1 x OCS

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: P212121
Unit cell:
a: 66.788Å b: 109.705Å c: 110.096Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.249
Expression system: Escherichia coli

Quick links

Citations

11 review citations

New generation of biocatalysts for organic synthesis.
Nestl et al. (2014)
10 more