102d
From Proteopedia
(New page: 200px<br /> <applet load="102d" size="450" color="white" frame="true" align="right" spinBox="true" caption="102d, resolution 2.200Å" /> '''SEQUENCE-DEPENDENT...) |
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caption="102d, resolution 2.200Å" /> | caption="102d, resolution 2.200Å" /> | ||
'''SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE'''<br /> | '''SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The DNA-binding ligand propamidine, an analogue of the drug pentamidine, which is used in the treatment of acquired immune deficiency syndrome, (AIDS)-associated Pneumocystis carinii, has been cocrystallized with the, DNA sequence d(CGCAAATTTGCG)2, and the crystal structure of the complex, has been determined using data from 8 to 2.2 A resolution. The R factor, converged to 15.5% with the inclusion of 73 water molecules. The structure, shows binding of the propamidine molecule within the AT tract of the DNA, minor groove with a shift from the center of the duplex toward the 3' end, of ca. 2 A. The long AT tract of six base pairs in length allows the, propamidine many potential binding sites in the DNA groove, and its, binding is seen to occur where there is least perturbation to the DNA . | + | The DNA-binding ligand propamidine, an analogue of the drug pentamidine, which is used in the treatment of acquired immune deficiency syndrome, (AIDS)-associated Pneumocystis carinii, has been cocrystallized with the, DNA sequence d(CGCAAATTTGCG)2, and the crystal structure of the complex, has been determined using data from 8 to 2.2 A resolution. The R factor, converged to 15.5% with the inclusion of 73 water molecules. The structure, shows binding of the propamidine molecule within the AT tract of the DNA, minor groove with a shift from the center of the duplex toward the 3' end, of ca. 2 A. The long AT tract of six base pairs in length allows the, propamidine many potential binding sites in the DNA groove, and its, binding is seen to occur where there is least perturbation to the DNA from, that seen in the native structure. The interactions with bases are, distinct from those previously observed for the sequence d(CGCGAATTCGCG)2. |
==About this Structure== | ==About this Structure== | ||
| - | 102D is a | + | 102D is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=TNT:'>TNT</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=102D OCA]. |
==Reference== | ==Reference== | ||
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[[Category: double helix]] | [[Category: double helix]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Feb 15 15:27:46 2008'' |
Revision as of 13:27, 15 February 2008
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SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
Overview
The DNA-binding ligand propamidine, an analogue of the drug pentamidine, which is used in the treatment of acquired immune deficiency syndrome, (AIDS)-associated Pneumocystis carinii, has been cocrystallized with the, DNA sequence d(CGCAAATTTGCG)2, and the crystal structure of the complex, has been determined using data from 8 to 2.2 A resolution. The R factor, converged to 15.5% with the inclusion of 73 water molecules. The structure, shows binding of the propamidine molecule within the AT tract of the DNA, minor groove with a shift from the center of the duplex toward the 3' end, of ca. 2 A. The long AT tract of six base pairs in length allows the, propamidine many potential binding sites in the DNA groove, and its, binding is seen to occur where there is least perturbation to the DNA from, that seen in the native structure. The interactions with bases are, distinct from those previously observed for the sequence d(CGCGAATTCGCG)2.
About this Structure
102D is a Protein complex structure of sequences from [1] with as ligand. Full crystallographic information is available from OCA.
Reference
Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine., Nunn CM, Neidle S, J Med Chem. 1995 Jun 23;38(13):2317-25. PMID:7608897
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