Oh, Kwang-Im Jin, Ho-Seong Balasubramaniyam, Thananjeyan Shin, Ji-Yeon Choi, Seo-Ree Seo, Young Jun Kim, Byeong-Seon Seo, Yeo-Jin Kwon, Seung-Ryong 김낙균 Lee, Joon-Hwa 2024-01-19T09:03:11Z 2024-01-19T09:03:11Z 2023-06-22 2023-08 0167-7322 https://pubs.kist.re.kr/handle/201004/113458 Developing chemical modifications of DNA to find drug targets is challenging. Here, we incorporated doublemethylated guanosine into a DNA duplex and determined its solution structure using NMR and restrained molecular dynamics. The double-methylation of guanosine promotes aberrantly distorted Z-DNA with a widened groove space. This flexible Z-DNA exhibited slow conformational exchange (second time-scale) with a novel helical structure (denoted as tBZ-form). We find three characteristics of the Z-to-tBZ transition: 1) syn-to-syn glycosidic conformation (Z-to-non-B); 2) loss of left-handedness (that is, Z-to-non-Z); 3) entropic gain of the Z-totBZ transition. We anticipate that this flexible Z-DNA can be considered a novel target for drug discovery and that the Z-to-tBZ transition will provide new insights into structural diversity. English Elsevier BV Entropy-driven conformational transition of flexible Z-DNA to a novel non-B helix by double-methylated guanosine Article 10.1016/j.molliq.2023.122071 1 Journal of Molecular Liquids, v.383 Journal of Molecular Liquids 383 N scie scopus 001000804900001 2-s2.0-85159173888 Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics Article MOLECULAR-STRUCTURE CRYSTAL-STRUCTURE XPLOR-NIH BINDING OLIGONUCLEOTIDES RESOLUTION KINETICS SPECTRA PROTEIN PROBE Base modified DNA Helical parameter Z -DNA DNA dynamics NMR