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PDBsum entry 2wcg

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2wcg
Jmol
Contents
Protein chain
493 a.a. *
Ligands
NAG-NAG-MAN ×2
FU4 ×2
SO4 ×12
MT5 ×2
Metals
_CL ×2
Waters ×741
* Residue conservation analysis
PDB id:
2wcg
Name: Hydrolase
Title: X-ray structure of acid-beta-glucosidase with n-octyl( cyclic guanidine)-nojirimycin in the active site
Structure: Glucosylceramidase. Chain: a, b. Fragment: residues 40-536. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: daucus carota. Expression_system_taxid: 4039
Resolution:
2.30Å     R-factor:   0.138     R-free:   0.194
Authors: B.Brumshtein,M.Aguilar,M.I.Garcia-Moreno,C.O.Mellet, J.M.Garcia-Fernandez,I.Silman,Y.Shaaltiel,D.Aviezer, J.L.Sussman,A.H.Futerman
Key ref: B.Brumshtein et al. (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. PubMed id: 19437524
Date:
12-Mar-09     Release date:   24-Nov-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P04062  (GLCM_HUMAN) -  Glucosylceramidase
Seq:
Struc:
 
Seq:
Struc:
536 a.a.
493 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 Enzyme reactions 
   Enzyme class: E.C.3.2.1.45  - Glucosylceramidase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: D-glucosyl-N-acylsphingosine + H2O = D-glucose + N-acylsphingosine
D-glucosyl-N-acylsphingosine
+ H(2)O
=
D-glucose
Bound ligand (Het Group name = MAN)
matches with 91.00% similarity
+
N-acylsphingosine
Bound ligand (Het Group name = NAG)
matches with 40.00% similarity
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     membrane   5 terms 
  Biological process     metabolic process   23 terms 
  Biochemical function     protein binding     5 terms  

 

 
    reference    
 
 
Chembiochem 10:1480-1485 (2009)
PubMed id: 19437524  
 
 
6-Amino-6-deoxy-5,6-di-N-(N'-octyliminomethylidene)nojirimycin: synthesis, biological evaluation, and crystal structure in complex with acid beta-glucosidase.
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, A.H.Futerman.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
21451818 M.Aguilar-Moncayo, M.I.García-Moreno, A.Trapero, M.Egido-Gabás, A.Llebaria, J.M.Fernández, and C.O.Mellet (2011).
Bicyclic (galacto)nojirimycin analogues as glycosidase inhibitors: effect of structural modifications in their pharmacological chaperone potential towards β-glucocerebrosidase.
  Org Biomol Chem, 9, 3698-3713.  
20552113 E.M.Sánchez-Fernández, R.Rísquez-Cuadro, M.Chasseraud, A.Ahidouch, C.Ortiz Mellet, H.Ouadid-Ahidouch, and J.M.García Fernández (2010).
Synthesis of N-, S-, and C-glycoside castanospermine analogues with selective neutral alpha-glucosidase inhibitory activity as antitumour agents.
  Chem Commun (Camb), 46, 5328-5330.  
20715263 G.Schitter, A.J.Steiner, G.Pototschnig, E.Scheucher, M.Thonhofer, C.A.Tarling, S.G.Withers, K.Fantur, E.Paschke, D.J.Mahuran, B.A.Rigat, M.B.Tropak, C.Illaszewicz, R.Saf, A.E.Stütz, and T.M.Wrodnigg (2010).
Fluorous iminoalditols: a new family of glycosidase inhibitors and pharmacological chaperones.
  Chembiochem, 11, 2026-2033.  
21064079 Z.Luan, K.Higaki, M.Aguilar-Moncayo, L.Li, H.Ninomiya, E.Nanba, K.Ohno, M.I.García-Moreno, C.Ortiz Mellet, J.M.García Fernández, and Y.Suzuki (2010).
A Fluorescent sp2-iminosugar with pharmacological chaperone activity for gaucher disease: synthesis and intracellular distribution studies.
  Chembiochem, 11, 2453-2464.  
19830760 Z.Luan, K.Higaki, M.Aguilar-Moncayo, H.Ninomiya, K.Ohno, M.I.García-Moreno, C.Ortiz Mellet, J.M.García Fernández, and Y.Suzuki (2009).
Chaperone activity of bicyclic nojirimycin analogues for Gaucher mutations in comparison with N-(n-nonyl)deoxynojirimycin.
  Chembiochem, 10, 2780-2792.  
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