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PDBsum entry 2vrj

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2vrj
Jmol
Contents
Protein chains
438 a.a. *
Ligands
NCW ×2
ACT ×3
Metals
_CA ×2
Waters ×669
* Residue conservation analysis
PDB id:
2vrj
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.
Resolution:
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
Date:
09-Apr-08     Release date:   14-Oct-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

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

 Enzyme reactions 
   Enzyme class: E.C.3.2.1.21  - 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.
 
  ABSTRACT  
 
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
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