› 2wyn

X-ray diffraction
2.1Å resolution

Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue

Released:
DOI: 10.2210/pdb2wyn/pdb
PDB entry 2wyn coloured by chain, front view.
PDB entry 2wyn coloured by chain, side view.
PDB entry 2wyn coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
Cardona F, Goti A, Parmeggiani C, Parenti P, Forcella M, Fusi P, Cipolla L, Roberts SM, Davies GJ, Gloster TM
Chem Commun (Camb) 46 2629-31 (2010)
PMID: 20461849

Function and Biology Details

Reaction catalysed: 
Alpha,alpha-trehalose + H(2)O = beta-D-glucose + alpha-D-glucose
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146604 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Periplasmic trehalase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 535 amino acids
Theoretical weight: 60.53 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P13482 (Residues: 31-565; Coverage: 100%)
Gene names: JW1186, b1197, osmA, treA
Sequence domains: Trehalase
Structure domains: Glycosyltransferase

Ligands and Environments

4 bound ligands:
Ligand LG9 4 x LG9
Ligand GLC 4 x GLC
Ligand SO4 32 x SO4
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 94.349Å b: 117.017Å c: 203.565Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.159 0.209
Expression system: Escherichia coli BL21

Quick links

Citations

2 review citations

Pyrrolizidine alkaloids.
Robertson et al. (2014)
1 more

6 mentions without citation

Trehalases: a neglected carbon metabolism regulator?
Barraza et al. (2013)
5 more