› 1nx9

X-ray diffraction
2.2Å resolution

Acetobacter turbidans alpha-amino acid ester hydrolase S205A mutant complexed with ampicillin

Released:
DOI: 10.2210/pdb1nx9/pdb
PDB entry 1nx9 coloured by chain, front view.
PDB entry 1nx9 coloured by chain, side view.
PDB entry 1nx9 coloured by chain, top view.
Source organism: Acetobacter pasteurianus
Primary publication:
Acetobacter turbidans alpha-amino acid ester hydrolase: how a single mutation improves an antibiotic-producing enzyme.
Barends TR, Polderman-Tijmes JJ, Jekel PA, Williams C, Wybenga G, Janssen DB, Dijkstra BW
J Biol Chem 281 5804-10 (2006)
PMID: 16377627

Function and Biology Details

Reaction catalysed: 
An alpha-amino acid ester + H(2)O = an alpha-amino acid + an alcohol
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186619 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Xaa-Pro dipeptidyl-peptidase C-terminal domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 652 amino acids
Theoretical weight: 72.93 KDa
Source organism: Acetobacter pasteurianus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8VRK8 (Residues: 41-667; Coverage: 100%)
Gene name: aehA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand AIC 4 x AIC
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: I23
Unit cell:
a: 341.828Å b: 341.828Å c: 341.828Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.184
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Current state and perspectives of penicillin G acylase-based biocatalyses.
Marešová et al. (2014)
1 more

2 mentions without citation

Mechanism of thioesterase-catalyzed chain release in the biosynthesis of the polyether antibiotic nanchangmycin.
Liu et al. (2008)
1 more