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PDBsum entry 2b53
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protein ligands links
Transferase PDB id
2b53

 

 

 

 

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JSmol PyMol  
Contents
Protein chain
294 a.a. *
Ligands
D23
Waters ×73
* Residue conservation analysis
PDB id:
2b53
Name: Transferase
Title: Human cyclin dependent kinase 2 (cdk2) complexed with din-234325
Structure: Cell division protein kinase 2. Chain: a. Synonym: p33 protein kinase, cdk2. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108. Expression_system_cell_line: sf9.
Resolution:
2.00Å     R-factor:   0.223     R-free:   0.273
Authors: J.Muckelbauer
Key ref: T.M.Sielecki et al. (2001). Quinazolines as cyclin dependent kinase inhibitors. Bioorg Med Chem Lett, 11, 1157-1160. PubMed id: 11354366 DOI: 10.1016/S0960-894X(01)00185-8
Date:
27-Sep-05     Release date:   11-Oct-05    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P24941  (CDK2_HUMAN) -  Cyclin-dependent kinase 2 from Homo sapiens
Seq:
Struc: 		298 a.a.
294 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:
1. L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H+
2. L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H+
L-seryl-[protein]
 + ATP
 = O-phospho-L-seryl-[protein]
 + ADP
 + H(+)
L-threonyl-[protein]
 + ATP
 = O-phospho-L-threonyl-[protein]
 + ADP
 + H(+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    reference    
 
 
DOI no: 10.1016/S0960-894X(01)00185-8 Bioorg Med Chem Lett 11:1157-1160 (2001)
PubMed id: 11354366  
 
 
Quinazolines as cyclin dependent kinase inhibitors.
T.M.Sielecki, T.L.Johnson, J.Liu, J.K.Muckelbauer, R.H.Grafstrom, S.Cox, J.Boylan, C.R.Burton, H.Chen, A.Smallwood, C.H.Chang, M.Boisclair, P.A.Benfield, G.L.Trainor, S.P.Seitz.
 
  ABSTRACT  
 
Quinazolines have been identified as inhibitors of CDK4/D1 and CDK2/E. Aspects of the SAR were investigated using solution-phase, parallel synthesis. An X-ray crystal structure was obtained of quinazoline 51 bound in CDK2 and key interactions within the ATP binding pocket are defined.
 

Literature references that cite this PDB file's key reference

  PubMed id Reference
18682653 J.Sopková-de Oliveira Santos, P.Verhaeghe, J.F.Lohier, P.Rathelot, P.Vanelle, and S.Rault (2008).
Nitrated isomers of 2-(trichloromethyl)quinoline.
  Acta Crystallogr C, 64, o441-o444.  
16584130 J.Sridhar, N.Akula, and N.Pattabiraman (2006).
Selectivity and potency of cyclin-dependent kinase inhibitors.
  AAPS J, 8, E204-E221.  
16575928 P.Dobes, M.Otyepka, M.Strnad, and P.Hobza (2006).
Interaction energies for the purine inhibitor roscovitine with cyclin-dependent kinase 2: correlated ab initio quantum-chemical, DFT and empirical calculations.
  Chemistry, 12, 4297-4304.  
15048820 Z.Kríz, M.Otyepka, I.Bártová, and J.Koca (2004).
Analysis of CDK2 active-site hydration: a method to design new inhibitors.
  Proteins, 55, 258-274.  
11807175 I.R.Hardcastle, B.T.Golding, and R.J.Griffin (2002).
Designing inhibitors of cyclin-dependent kinases.
  Annu Rev Pharmacol Toxicol, 42, 325-348.  
12237154 M.Knockaert, P.Greengard, and L.Meijer (2002).
Pharmacological inhibitors of cyclin-dependent kinases.
  Trends Pharmacol Sci, 23, 417-425.  
12133723 P.L.Toogood (2002).
Progress toward the development of agents to modulate the cell cycle.
  Curr Opin Chem Biol, 6, 472-478.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.

 

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