NMR screen reveals the diverse structural landscape of a G- quadruplex library

This is the NMR dataset for the manuscript 'NMR screen reveals the diverse structural landscape of a G-quadruplex library'

Abstract

G-quadruplexes are noncanonical nucleic acid structuresformed by stacked guanosine tetrads. Despite their functional andstructural diversity, a single consensus model is typically used todescribe sequences with the potential to form G-quadruplexstructures. We are interested in developing more specific sequencemodels for G-quadruplexes. In previous work, we functionallycharacterized each sequence in a 496-member library of variants of amonomeric reference G-quadruplex for the ability to bind GTP,promote a model peroxidase reaction, generate intrinsic fluorescence,and to form multimers. Here we used NMR to obtain a broad overviewof the structural features of this library. After determining the 1H NMRspectrum of each of these 496 sequences, spectra were sorted intomultiple classes, most of which could be rationalized based onmutational patterns in the primary sequence. A more detailed screenusing representative sequences provided additional information aboutspectral classes, and confirmed that the classes determined based onanalysis of 1H NMR spectra are correlated with functional categoriesidentified in previous studies. These results provide new insights intothe surprising structural diversity of this library. They also show howNMR can be used to identify classes of sequences with distinctmutational signatures and functions.

Link to journal article: https://doi.org/10.1002/chem.202401437