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PDBsum entry 2xwe

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protein ligands metals Protein-protein interface(s) links
Hydrolase PDB id
2xwe
Jmol
Contents
Protein chain
496 a.a.
Ligands
NAG-NAG-BMA-FUC ×2
PO4 ×2
AMF ×2
Metals
__K ×2
Waters ×474
PDB id:
2xwe
Name: Hydrolase
Title: X-ray structure of acid-beta-glucosidase with 5n,6s-(n'-(n- octyl)imino)-6-thionojirimycin in the active site
Structure: Glucosylceramidase. Chain: a, b. Synonym: acid-beta-glucosidase, alglucerase, beta-glucocerebrosidase, d-glucosyl-n-acylsphingosine glucohydrolase, imiglucerase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: daucus carota. Expression_system_taxid: 4039
Resolution:
2.31Å     R-factor:   0.153     R-free:   0.213
Authors: B.Brumshtein,M.Aguilar-Moncayo,J.M.Benito,C.Ortiz Mellet, J.M.Garcia Fernandez,I.Silman,Y.Shaaltiel,J.L.Sussman,A.H.F
Key ref: B.Brumshtein et al. (2011). Cyclodextrin-mediated crystallization of acid β-glucosidase in complex with amphiphilic bicyclic nojirimycin analogues. Org Biomol Chem, 9, 4160-4167. PubMed id: 21483943 DOI: 10.1039/c1ob05200d
Date:
02-Nov-10     Release date:   14-Sep-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
P04062  (GLCM_HUMAN) -  Glucosylceramidase
Seq:
Struc:
 
Seq:
Struc:
536 a.a.
496 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 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 = BMA)
matches with 91.67% similarity
+
N-acylsphingosine
Bound ligand (Het Group name = NAG)
matches with 40.74% 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    
 
 
DOI no: 10.1039/c1ob05200d Org Biomol Chem 9:4160-4167 (2011)
PubMed id: 21483943  
 
 
Cyclodextrin-mediated crystallization of acid β-glucosidase in complex with amphiphilic bicyclic nojirimycin analogues.
B.Brumshtein, M.Aguilar-Moncayo, J.M.Benito, J.M.García Fernandez, I.Silman, Y.Shaaltiel, D.Aviezer, J.L.Sussman, A.H.Futerman, C.Ortiz Mellet.
 
  ABSTRACT  
 
No abstract given.