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PDBsum entry 3ey0

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dna_rna ligands metals links
DNA PDB id
3ey0
Jmol
Contents
DNA/RNA
Ligands
PNT
Metals
_MG
Waters ×51
PDB id:
3ey0
Name: DNA
Title: A new form of DNA-drug interaction in the minor groove of a coil
Structure: 5'-d( Dap Dtp Dap Dtp Dap Dtp Dap Dtp Dap Dt)-3'. Chain: a, b. Engineered: yes
Source: Synthetic: yes. Other_details: synthesized by using phosphoramiditine metho
Resolution:
2.52Å     R-factor:   0.222     R-free:   0.277
Authors: J.Pous,T.Moreno,J.A.Subirana,J.L.Campos
Key ref: T.Moreno et al. (2010). Coiled-coil conformation of a pentamidine-DNA complex. Acta Crystallogr D Biol Crystallogr, 66, 251-257. PubMed id: 20179336
Date:
17-Oct-08     Release date:   27-Oct-09    
 Headers
 References

 

 
Acta Crystallogr D Biol Crystallogr 66:251-257 (2010)
PubMed id: 20179336  
 
 
Coiled-coil conformation of a pentamidine-DNA complex.
T.Moreno, J.Pous, J.A.Subirana, J.L.Campos.
 
  ABSTRACT  
 
The coiled-coil structure formed by the complex of the DNA duplex d(ATATATATAT)(2) with pentamidine is presented. The duplex was found to have a mixed structure containing Watson-Crick and Hoogsteen base pairs. The drug stabilizes the coiled coil through the formation of cross-links between neighbouring duplexes. The central part of the drug is found in the minor groove as expected, whereas the charged terminal amidine groups protrude and interact with phosphates from neighbouring molecules. The formation of cross-links may be related to the biological effects of pentamidine, which is used as an antiprotozoal agent in trypanosomiasis, leishmaniasis and pneumonias associated with AIDS. The DNA sequence that was used is highly abundant in most eukaryotic genomes. However, very few data are available on DNA sequences which only contain A.T base pairs.