2JT7
NMR solution structure of the 4:1 distamycin A/[d(TGGGGT)]4 complex
Summary for 2JT7
| Entry DOI | 10.2210/pdb2jt7/pdb |
| Descriptor | DNA (5'-D(*DTP*DGP*DGP*DGP*DGP*DT)-3'), DISTAMYCIN A (2 entities in total) |
| Functional Keywords | quadruplex, distamycin a, tggggt, complex, telomere, dna |
| Total number of polymer chains | 4 |
| Total formula weight | 9447.04 |
| Authors | Martino, L.,Virno, A. (deposition date: 2007-07-20, release date: 2008-01-29, Last modification date: 2024-05-29) |
| Primary citation | Martino, L.,Virno, A.,Pagano, B.,Virgilio, A.,Di Micco, S.,Galeone, A.,Giancola, C.,Bifulco, G.,Mayol, L.,Randazzo, A. Structural and thermodynamic studies of the interaction of distamycin A with the parallel quadruplex structure [d(TGGGGT)]4 J.Am.Chem.Soc., 129:16048-16056, 2007 Cited by PubMed Abstract: 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. PubMed: 18052170DOI: 10.1021/ja075710k PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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