1da0: Difference between revisions

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

[[Image:1da0.gif|left|200px]]<br /><applet load="1da0" size="350" color="white" frame="true" align="right" spinBox="true"

caption="1da0, resolution 1.500Å" />

'''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.

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].

1DA0 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=DM1:'>DM1</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.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: Estaintot, B Langlois D.]]

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

[[Category: Hunter, W N.]]

[[Category: Kennard, O.]]

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

[[Category: Moore, M H.]]

[[Category: DM1]]

[[Category: complexed with drug]]

Line 21:

[[Category: right handed dna]]

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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:14:30 2008''

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@@ Line 1: / Line 1: @@
-[[Image:1da0.gif|left|200px]]<br /><applet load="1da0" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1da0.gif|left|200px]]<br /><applet load="1da0" size="350" 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.
+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==
-DA0 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].
+DA0 is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=DM1:'>DM1</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.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: Estaintot, B Langlois D.]]
-[[Category: Hunter, W.N.]]
+[[Category: Hunter, W N.]]
 [[Category: Kennard, O.]]
-[[Category: Moore, M.H.]]
+[[Category: Moore, M H.]]
 [[Category: DM1]]
 [[Category: complexed with drug]]
@@ Line 21: / Line 21: @@
 [[Category: right handed dna]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 02:51:08 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:14:30 2008''