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PDBsum entry 2wyn

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2wyn
Jmol
Contents
Protein chains
506 a.a. *
Ligands
LG9-GLC ×4
SO4 ×32
Metals
_CA
Waters ×1563
* Residue conservation analysis
PDB id:
2wyn
Name: Hydrolase
Title: Structure of family 37 trehalase from escherichia coli in complex with a casuarine-6-o-a-d-glucoside analogue
Structure: Periplasmic trehalase. Chain: a, b, c, d. Synonym: trehalase, alpha\,alpha-trehalase, alpha\,alpha-tr glucohydrolase. Engineered: yes
Source: Escherichia coli. Organism_taxid: 83333. Strain: k-12. Expressed in: escherichia coli. Expression_system_taxid: 511693.
Resolution:
2.10Å     R-factor:   0.161     R-free:   0.209
Authors: T.M.Gloster,S.M.Roberts,G.J.Davies,F.Cardona,A.Goti,C.Parmeg P.Parenti,P.Fusi,M.Forcella,L.Cipolla
Key ref: F.Cardona et al. (2010). Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem Commun (Camb), 46, 2629-2631. PubMed id: 20461849
Date:
17-Nov-09     Release date:   29-Sep-10    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P13482  (TREA_ECOLI) -  Periplasmic trehalase
Seq:
Struc:
 
Seq:
Struc:
565 a.a.
506 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.2.1.28  - Alpha,alpha-trehalase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Alpha,alpha-trehalose + H2O = beta-D-glucose + alpha-D-glucose
Alpha,alpha-trehalose
+ H(2)O
=
beta-D-glucose
Bound ligand (Het Group name = GLC)
corresponds exactly
+ alpha-D-glucose
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     periplasmic space   2 terms 
  Biological process     metabolic process   5 terms 
  Biochemical function     catalytic activity     4 terms  

 

 
    reference    
 
 
Chem Commun (Camb) 46:2629-2631 (2010)
PubMed id: 20461849  
 
 
Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases.
F.Cardona, A.Goti, C.Parmeggiani, P.Parenti, M.Forcella, P.Fusi, L.Cipolla, S.M.Roberts, G.J.Davies, T.M.Gloster.
 
  ABSTRACT  
 
Two novel casuarine-6-alpha-D-glucoside analogues, as well as the parent compound, were synthesized and tested as inhibitors towards Chironomus riparius, mammalian pig kidney and Escherichia coli trehalases. Their potent and selective activity is promising for the development of new insecticides.