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PDBsum entry 2h04

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protein ligands links
Hydrolase PDB id
2h04
Jmol
Contents
Protein chain
280 a.a. *
Ligands
4UN
Waters ×141
* Residue conservation analysis
PDB id:
2h04
Name: Hydrolase
Title: Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors
Structure: Protein tyrosine phosphatase, receptor type, b,. Chain: a. Fragment: catalytic domain, residues 1662-1973. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: ptprb. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
2.30Å     R-factor:   0.170     R-free:   0.238
Authors: A.G.Evdokimov,M.E.Pokross,R.L.Walter,M.Mekel,J.L.Gray, K.G.Peters,M.B.Maier,K.D.Amarasinghe,C.M.Clark,R.Nichols
Key ref: K.K.Amarasinghe et al. (2006). Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. Bioorg Med Chem Lett, 16, 4252-4256. PubMed id: 16759857 DOI: 10.1016/j.bmcl.2006.05.074
Date:
13-May-06     Release date:   13-Jun-06    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P23467  (PTPRB_HUMAN) -  Receptor-type tyrosine-protein phosphatase beta
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
 
Seq:
Struc:
1997 a.a.
280 a.a.
Key:    PfamA 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.2006.05.074 Bioorg Med Chem Lett 16:4252-4256 (2006)
PubMed id: 16759857  
 
 
Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
K.K.Amarasinghe, A.G.Evdokimov, A.G.Evidokimov, K.Xu, C.M.Clark, M.B.Maier, A.Srivastava, A.O.Colson, G.S.Gerwe, G.E.Stake, B.W.Howard, M.E.Pokross, J.L.Gray, K.G.Peters.
 
  ABSTRACT  
 
The sulfamic acid phosphotyrosine mimetic was coupled with a previously known malonate template to obtain highly selective and potent inhibitors of HPTPbeta. Potentially hydrolyzable malonate ester functionalities were replaced with 1,2,4-oxadiazoles without a significant effect on HPTPbeta potency.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
19652406 R.A.Neves Filho, C.A.da Silva, C.S.da Silva, V.P.Brustein, D.M.do Amaral Ferraz Navarro, F.A.dos Santos, L.C.Alves, M.G.dos Santos Cavalcanti, R.M.Srivastava, and M.das Graças Carneiro-Da-Cunha (2009).
Improved microwave-mediated synthesis of 3-(3-Aryl-1,2,4-oxadiazol-5-yl)propionic acids and their larvicidal and fungal growth inhibitory properties.
  Chem Pharm Bull (Tokyo), 57, 819-825.  
19288492 R.Maccari, R.Ottanà, R.Ciurleo, P.Paoli, G.Manao, G.Camici, C.Laggner, and T.Langer (2009).
Structure-based optimization of benzoic acids as inhibitors of protein tyrosine phosphatase 1B and low molecular weight protein tyrosine phosphatase.
  ChemMedChem, 4, 957-962.  
17139078 A.G.Evdokimov, M.Pokross, R.Walter, M.Mekel, B.Cox, C.Li, R.Bechard, F.Genbauffe, R.Andrews, C.Diven, B.Howard, V.Rastogi, J.Gray, M.Maier, and K.G.Peters (2006).
Engineering the catalytic domain of human protein tyrosine phosphatase beta for structure-based drug discovery.
  Acta Crystallogr D Biol Crystallogr, 62, 1435-1445.
PDB codes: 2hc1 2hc2 2i3r 2i3u 2i4e 2i4g 2i4h 2i5x
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