The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1. Bazzicalupi, C., Ferraroni, M., Bilia, A. R., Scheggi, F., & Gratteri, P. Nucleic acids research, 41(1):632–638, October, 2012. tex.ids= Bazzicalupi2013 ISBN: 0554573342![The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1. [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi abstract bibtex The first crystal structure of human telomeric DNA in complex with the natural alkaloid berberine, produced by different plant families and used in folk medicine for millennia, was solved by X-ray diffraction method. The G-quadruplex unit features all-parallel strands. The overall folding assumed by DNA is the same found in previously reported crystal structures. Similarly to previously reported structures the ligand molecules were found to be stacked onto the external 5' and 3'-end G-tetrads. However, the present crystal structure highlighted for the first time, the presence of two berberine molecules in the two binding sites, directly interacting with each tetrad. As a consequence, our structural data point out a 2:1 ligand to G-tetrad molar ratio, which has never been reported before in a telomeric intramolecular quadruplex structure.
@article{Bazzicalupi2012,
title = {The crystal structure of human telomeric {DNA} complexed with berberine: an interesting case of stacked ligand to {G}-tetrad ratio higher than 1:1.},
volume = {41},
issn = {1362-4962},
url = {http://www.ncbi.nlm.nih.gov/pubmed/23104378},
doi = {10.1093/nar/gks1001},
abstract = {The first crystal structure of human telomeric DNA in complex with the natural alkaloid berberine, produced by different plant families and used in folk medicine for millennia, was solved by X-ray diffraction method. The G-quadruplex unit features all-parallel strands. The overall folding assumed by DNA is the same found in previously reported crystal structures. Similarly to previously reported structures the ligand molecules were found to be stacked onto the external 5' and 3'-end G-tetrads. However, the present crystal structure highlighted for the first time, the presence of two berberine molecules in the two binding sites, directly interacting with each tetrad. As a consequence, our structural data point out a 2:1 ligand to G-tetrad molar ratio, which has never been reported before in a telomeric intramolecular quadruplex structure.},
number = {1},
journal = {Nucleic acids research},
author = {Bazzicalupi, Carla and Ferraroni, Marta and Bilia, Anna Rita and Scheggi, Francesca and Gratteri, Paola},
month = oct,
year = {2012},
pmid = {23104378},
note = {tex.ids= Bazzicalupi2013
ISBN: 0554573342},
keywords = {Berberine, Berberine: chemistry, Binding Sites, Crystallography, DNA, DNA: chemistry, G-Quadruplexes, Humans, Ligands, Models, Molecular, Telomere, Telomere: chemistry, X-Ray},
pages = {632--638},
}
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Similarly to previously reported structures the ligand molecules were found to be stacked onto the external 5' and 3'-end G-tetrads. However, the present crystal structure highlighted for the first time, the presence of two berberine molecules in the two binding sites, directly interacting with each tetrad. 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