1da0

[[Image:1da0.gif|left|200px]]<br /><applet load="1da0" size="450" color="white" frame="true" align="right" spinBox="true"

caption="1da0, resolution 1.500&Aring;" />

'''DNA-DRUG INTERACTIONS: THE CRYSTAL STRUCTURE OF D(CGATCG) COMPLEXED WITH DAUNOMYCIN'''<br />

==Overview==

The structure of a d(CGATCG)-daunomycin complex has been determined by, single crystal X-ray diffraction techniques. Refinement, with the location, of 40 solvent molecules, using data up to 1.5 A, converged with a final, crystallographic residual, R = 0.25 (RW = 0.22). The tetragonal crystals, are in space group P4(1)2(1)2, with cell dimensions of a = 27.98 A and c =, 52.87 A. The self-complementary d(CGATCG) forms a distorted right-handed, helix with a daunomycin molecule intercalated at each d(CpG) step. The, daunomycin aglycon chromophore is oriented at right-angles to the long, axis of the DNA base-pairs. This head-on intercalation is stabilized by, direct hydrogen bonds and indirectly via solvent-mediated, hydrogen-bonding interactions between the chromophore and its, intercalation site base-pairs. The cyclohexene ring and amino sugar, substituent lie in the minor groove. The amino sugar N-3' forms a hydrogen, bond with O-2 of the next neighbouring thymine. This electrostatic, interaction helps position the sugar in a way that results in extensive, van der Waals contacts between the drug and the DNA. There is no, interaction between daunosamine and the DNA sugar-phosphate backbone. We, present full experimental details and all relevant conformational, parameters, and use the comparison with a d(CGTACG)-daunomycin complex to, rationalize some neighbouring sequence effects involved in daunomycin, binding.

 

==About this Structure==

1DA0 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with DM1 as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1DA0 OCA].

 

==Reference==

DNA-drug interactions. The crystal structure of d(CGATCG) complexed with daunomycin., Moore MH, Hunter WN, d'Estaintot BL, Kennard O, J Mol Biol. 1989 Apr 20;206(4):693-705. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=2738914 2738914]

[[Category: Protein complex]]

[[Category: Estaintot, B.Langlois.D.]]

[[Category: Hunter, W.N.]]

[[Category: Kennard, O.]]

[[Category: Moore, M.H.]]

[[Category: DM1]]

[[Category: complexed with drug]]

[[Category: double helix]]

[[Category: right handed dna]]