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PDBsum entry 3lfn

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protein ligands links
Transferase PDB id
3lfn
Jmol
Contents
Protein chain
285 a.a. *
Ligands
A27
Waters ×146
* Residue conservation analysis
PDB id:
3lfn
Name: Transferase
Title: Crystal structure of cdk2 with sar57, an aminoindazole type inhibitor
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: cdk2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108
Resolution:
2.28Å     R-factor:   0.190     R-free:   0.268
Authors: M.K.Dreyer,K.U.Wendt,S.Schimanski-Breves,P.Loenze
Key ref: D.Lesuisse et al. (2010). Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2. Bioorg Med Chem Lett, 20, 1985-1989. PubMed id: 20167481 DOI: 10.1016/j.bmcl.2010.01.114
Date:
18-Jan-10     Release date:   02-Mar-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
285 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.2.7.11.22  - Cyclin-dependent kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
ATP
+ protein
= ADP
+ phosphoprotein
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     cyclin-dependent protein kinase holoenzyme complex   15 terms 
  Biological process     regulation of gene silencing   27 terms 
  Biochemical function     nucleotide binding     12 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2010.01.114 Bioorg Med Chem Lett 20:1985-1989 (2010)
PubMed id: 20167481  
 
 
Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
D.Lesuisse, G.Dutruc-Rosset, G.Tiraboschi, M.K.Dreyer, S.Maignan, A.Chevalier, F.Halley, P.Bertrand, M.C.Burgevin, D.Quarteronet, T.Rooney.
 
  ABSTRACT  
 
From an HTS hit, a series of potent and selective inhibitors of GSK3beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2.