2jt7: Difference between revisions
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'''NMR solution structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex''' | {{Structure | ||
|PDB= 2jt7 |SIZE=350|CAPTION= <scene name='initialview01'>2jt7</scene> | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=DMY:DISTAMYCIN A'>DMY</scene> | |||
|ACTIVITY= | |||
|GENE= | |||
}} | |||
'''NMR solution structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2JT7 is a [ | 2JT7 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JT7 OCA]. | ||
==Reference== | ==Reference== | ||
Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4., Martino L, Virno A, Pagano B, Virgilio A, Di Micco S, Galeone A, Giancola C, Bifulco G, Mayol L, Randazzo A, J Am Chem Soc. 2007 Dec 26;129(51):16048-56. Epub 2007 Dec 4. PMID:[http:// | Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4., Martino L, Virno A, Pagano B, Virgilio A, Di Micco S, Galeone A, Giancola C, Bifulco G, Mayol L, Randazzo A, J Am Chem Soc. 2007 Dec 26;129(51):16048-56. Epub 2007 Dec 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18052170 18052170] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Martino, L.]] | [[Category: Martino, L.]] | ||
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[[Category: DMY]] | [[Category: DMY]] | ||
[[Category: complex]] | [[Category: complex]] | ||
[[Category: distamycin | [[Category: distamycin some]] | ||
[[Category: dna]] | [[Category: dna]] | ||
[[Category: quadruplex]] | [[Category: quadruplex]] | ||
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[[Category: tggggt]] | [[Category: tggggt]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 17:44:58 2008'' | ||
Revision as of 15:45, 20 March 2008
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| Ligands: | DMY | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
NMR solution structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex
Overview
The complex between distamycin A and the parallel DNA quadruplex [d(TGGGGT)]4 has been studied by 1H NMR spectroscopy and isothermal titration calorimetry (ITC). To unambiguously assert that distamycin A interacts with the grooves of the quadruplex [d(TGGGGT)]4, we have analyzed the NMR titration profile of a modified quadruplex, namely [d(TGGMeGGT)]4, and we have applied the recently developed differential frequency-saturation transfer difference (DF-STD) method, for assessing the ligand-DNA binding mode. The three-dimensional structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex has been determined by an in-depth NMR study followed by dynamics and mechanics calculations. All results unequivocally indicate that distamycin molecules interact with [d(TGGGGT)]4 in a 4:1 binding mode, with two antiparallel distamycin dimers that bind simultaneously two opposite grooves of the quadruplex. The affinity between distamycin A and [d(TGGGGT)]4 enhances ( approximately 10-fold) when the ratio of distamycin A to the quadruplex is increased. In this paper we report the first three-dimensional structure of a groove-binder molecule complexed to a DNA quadruplex structure.
About this Structure
2JT7 is a Single protein structure of sequence from [1]. Full crystallographic information is available from OCA.
Reference
Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4., Martino L, Virno A, Pagano B, Virgilio A, Di Micco S, Galeone A, Giancola C, Bifulco G, Mayol L, Randazzo A, J Am Chem Soc. 2007 Dec 26;129(51):16048-56. Epub 2007 Dec 4. PMID:18052170
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