PDBsum entry 2vrj

Go to PDB code: 
protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
Protein chains
438 a.a. *
NCW ×2
ACT ×3
_CA ×2
Waters ×669
* Residue conservation analysis
PDB id:
Name: Hydrolase
Title: Beta-glucosidase from thermotoga maritima in complex with n- octyl-5-deoxy-6-oxa-n-(thio)carbamoylcalystegine
Structure: Beta-glucosidase a. Chain: a, b. Fragment: residues 2-446. Synonym: gentiobiase, cellobiase, beta-d- glucoside glucohy beta-glucosidase. Engineered: yes
Source: Thermotoga maritima. Organism_taxid: 2336. Expressed in: escherichia coli. Expression_system_taxid: 511693.
1.90Å     R-factor:   0.197     R-free:   0.239
Authors: M.Aguilar,T.M.Gloster,M.I.Garcia-Moreno,C.Ortiz Mellet,G.J.D A.Llebaria,J.Casas,M.Egido-Gabas,J.M.Garcia Fernandez
Key ref: M.Aguilar et al. (2008). Molecular basis for beta-glucosidase inhibition by ring-modified calystegine analogues. Chembiochem, 9, 2612-2618. PubMed id: 18833549 DOI: 10.1002/cbic.200800451
09-Apr-08     Release date:   14-Oct-08    
Go to PROCHECK summary

Protein chains
Pfam   ArchSchema ?
Q08638  (BGLA_THEMA) -  Beta-glucosidase A
446 a.a.
438 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - Beta-glucosidase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Hydrolysis of terminal, non-reducing beta-D-glucose residues with release of beta-D-glucose.
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     metabolic process   4 terms 
  Biochemical function     hydrolase activity     4 terms  


DOI no: 10.1002/cbic.200800451 Chembiochem 9:2612-2618 (2008)
PubMed id: 18833549  
Molecular basis for beta-glucosidase inhibition by ring-modified calystegine analogues.
M.Aguilar, T.M.Gloster, M.I.García-Moreno, C.Ortiz Mellet, G.J.Davies, A.Llebaria, J.Casas, M.Egido-Gabás, J.M.García Fernandez.
No abstract given.


Literature references that cite this PDB file's key reference

  PubMed id Reference
20066263 T.M.Gloster, and G.J.Davies (2010).
Glycosidase inhibition: assessing mimicry of the transition state.
  Org Biomol Chem, 8, 305-320.  
19437524 B.Brumshtein, M.Aguilar-Moncayo, M.I.García-Moreno, C.Ortiz Mellet, J.M.García Fernández, I.Silman, Y.Shaaltiel, D.Aviezer, J.L.Sussman, and A.H.Futerman (2009).
6-Amino-6-deoxy-5,6-di-N-(N'-octyliminomethylidene)nojirimycin: synthesis, biological evaluation, and crystal structure in complex with acid beta-glucosidase.
  Chembiochem, 10, 1480-1485.
PDB code: 2wcg
19532990 M.Aguilar-Moncayo, T.M.Gloster, J.P.Turkenburg, M.I.García-Moreno, C.Ortiz Mellet, G.J.Davies, and J.M.García Fernández (2009).
Glycosidase inhibition by ring-modified castanospermine analogues: tackling enzyme selectivity by inhibitor tailoring.
  Org Biomol Chem, 7, 2738-2747.
PDB codes: 2wbg 2wc3 2wc4
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.