› 2jf4

X-ray diffraction
2.2Å resolution

Family 37 trehalase from Escherichia coli in complex with validoxylamine

Released:
DOI: 10.2210/pdb2jf4/pdb
PDB entry 2jf4 coloured by chain, front view.
PDB entry 2jf4 coloured by chain, side view.
PDB entry 2jf4 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Molecular basis for trehalase inhibition revealed by the structure of trehalase in complex with potent inhibitors.
Gibson RP, Gloster TM, Roberts S, Warren RA, Storch de Gracia I, García A, Chiara JL, Davies GJ
Angew Chem Int Ed Engl 46 4115-9 (2007)
PMID: 17455176

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146603 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Periplasmic trehalase Chain: A
Molecule details ›
Chain: A
Length: 535 amino acids
Theoretical weight: 61.18 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

1 bound ligand:
Ligand VDM 1 x VDM
1 modified residue:
Ligand MSE 14 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 49.399Å b: 102.696Å c: 103.174Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.163 0.214
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Insect trehalase: physiological significance and potential applications.
Shukla et al. (2015)
5 more

9 mentions without citation

Specificity of Processing α-glucosidase I is guided by the substrate conformation: crystallographic and in silico studies.
Barker et al. (2013)
8 more