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PDBsum entry 2vey

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protein ligands links
Hydrolase PDB id
2vey
Jmol
Contents
Protein chain
298 a.a. *
Ligands
IZ5
Waters ×223
* Residue conservation analysis
PDB id:
2vey
Name: Hydrolase
Title: Crystal strucutre of protein tyrosine phosphatase 1b in complex with an isothiazolidinone-containing inhibitor
Structure: Tyrosine-protein phosphatase non-receptor type 1. Chain: a. Fragment: residues 1-321. Synonym: protein-tyrosine phosphatase 1b, ptp-1b, protein tyrosine phosphatase 1b. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
2.20Å     R-factor:   0.208     R-free:   0.261
Authors: B.Douty,B.Wayland,P.J.Ala,M.J.Bower,J.Pruitt,L.Bostrom, M.Wei,R.Klabe,L.Gonneville,R.Wynn,T.C.Burn,P.C.C.Liu, A.P.Combs,E.W.Yue
Key ref: B.Douty et al. (2008). Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines. Bioorg Med Chem Lett, 18, 66-71. PubMed id: 18037290 DOI: 10.1016/j.bmcl.2007.11.012
Date:
27-Oct-07     Release date:   06-Nov-07    
PROCHECK
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 Headers
 References

Protein chain
Pfam   ArchSchema ?
P18031  (PTN1_HUMAN) -  Tyrosine-protein phosphatase non-receptor type 1
Seq:
Struc:
435 a.a.
298 a.a.
Key:    PfamA domain  PfamB domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.3.1.3.48  - Protein-tyrosine-phosphatase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Protein tyrosine phosphate + H2O = protein tyrosine + phosphate
Protein tyrosine phosphate
+ H(2)O
= protein tyrosine
+ phosphate
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     dephosphorylation   2 terms 
  Biochemical function     phosphatase activity     2 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2007.11.012 Bioorg Med Chem Lett 18:66-71 (2008)
PubMed id: 18037290  
 
 
Isothiazolidinone inhibitors of PTP1B containing imidazoles and imidazolines.
B.Douty, B.Wayland, P.J.Ala, M.J.Bower, J.Pruitt, L.Bostrom, M.Wei, R.Klabe, L.Gonneville, R.Wynn, T.C.Burn, P.C.Liu, A.P.Combs, E.W.Yue.
 
  ABSTRACT  
 
The structure-based design and synthesis of isothiazolidinone (IZD) inhibitors of PTP1B containing imidazoles and imidazolines and their modification to interact with the B site of PTP1B are described here. The X-ray crystal structures of 3I and 4I complexed with PTP1B were solved and revealed the inhibitors are interacting extensively with the B site of the enzyme.