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PDBsum entry 3fz1

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protein ligands links
Transferase PDB id
3fz1
Jmol
Contents
Protein chain
284 a.a. *
Ligands
B98
Waters ×211
* Residue conservation analysis
PDB id:
3fz1
Name: Transferase
Title: Crystal structure of a benzthiophene inhibitor bound to human cyclin-dependent kinase-2 (cdk-2)
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: cdk2, cdk2_human. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
1.90Å     R-factor:   0.212     R-free:   0.259
Authors: R.G.Kurumbail,N.Caspers
Key ref: D.R.Anderson et al. (2009). Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. Bioorg Med Chem Lett, 19, 4882-4884. PubMed id: 19616942 DOI: 10.1016/j.bmcl.2009.02.017
Date:
23-Jan-09     Release date:   07-Apr-09    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2
Seq:
Struc:
298 a.a.
284 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.2009.02.017 Bioorg Med Chem Lett 19:4882-4884 (2009)
PubMed id: 19616942  
 
 
Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.
D.R.Anderson, M.J.Meyers, R.G.Kurumbail, N.Caspers, G.I.Poda, S.A.Long, B.S.Pierce, M.W.Mahoney, R.J.Mourey, M.D.Parikh.
 
  ABSTRACT  
 
Optimization of kinase selectivity for a set of benzothiophene MK2 inhibitors provided analogs with potencies of less than 500 nM in a cell based assay. The selectivity of the inhibitors can be rationalized by examination of X-ray crystal structures of inhibitors bound to MK2.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
20057052 A.Fujino, K.Fukushima, N.Namiki, T.Kosugi, and M.Takimoto-Kamimura (2010).
Structural analysis of an MK2-inhibitor complex: insight into the regulation of the secondary structure of the Gly-rich loop by TEI-I01800.
  Acta Crystallogr D Biol Crystallogr, 66, 80-87.
PDB code: 3a2c
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