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Title: G-quadruplexes with (4n - 1) guanines in the G-tetrad core : formation of a G-triad·water complex and implication for small-molecule binding
Authors: Heddi, Brahim
Martín-Pintado, Nerea
Serimbetov, Zhalgas
Teuku Mahfuzh Aufar Kari
Phan, Anh Tuan
Keywords: DRNTU::Science::Chemistry
Issue Date: 2015
Source: Heddi, B., Martín-Pintado, N., Serimbetov, Z., Teuku Mahfuzh Aufar Kari, & Phan, A. T. (2016). G-quadruplexes with (4n- 1) guanines in the G-tetrad core : formation of a G-triad·water complex and implication for small-molecule binding. Nucleic Acids Research, 44(2), 910-916. doi:10.1093/nar/gkv1357
Series/Report no.: Nucleic Acids Research
Abstract: G-quadruplexes are non-canonical structures of nucleic acids, in which guanine bases form planar G-tetrads (G·G·G·G) that stack on each other in the core of the structure. G-quadruplexes generally contain multiple times of four (4n) guanines in the core. Here, we study the structure of G-quadruplexes with only (4n - 1) guanines in the core. The solution structure of a DNA sequence containing 11 guanines showed the formation of a parallel G-quadruplex involving two G-tetrads and one G-triad with a vacant site. Molecular dynamics simulation established the formation of a stable G-triad·water complex, where water molecules mimic the position of the missing guanine in the vacant site. The concept of forming G-quadruplexes with missing guanines in the core broadens the current definition of G-quadruplex-forming sequences. The potential ability of such structures to bind different metabolites, including guanine, guanosine and GTP, in the vacant site, could have biological implications in regulatory functions. Formation of this unique binding pocket in the G-triad could be used as a specific target in drug design.
ISSN: 0305-1048
DOI: 10.1093/nar/gkv1357
Rights: © 2015 The Author(s). Published by Oxford University Press on behalf of Nucleic Acids Research. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (, which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SPMS Journal Articles

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