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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex.
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Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex.

机译：深入了解肽核酸（PNA）结构特征：基于D-赖氨酸的手性PNA-DNA双链体的晶体结构。

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摘要

Peptide nucleic acids (PNAs) are oligonucleotide analogues in which the sugar-phosphate backbone has been replaced by a pseudopeptide skeleton. They bind DNA and RNA with high specificity and selectivity, leading to PNA-RNA and PNA-DNA hybrids more stable than the corresponding nucleic acid complexes. The binding affinity and selectivity of PNAs for nucleic acids can be modified by the introduction of stereogenic centers (such as d-Lys-based units) into the PNA backbone. To investigate the structural features of chiral PNAs, the structure of a PNA decamer containing three d-Lys-based monomers (namely H-GpnTpnApnGpnAdlTdlCdlApnCpnTpn-NH2, in which pn represents a pseudopeptide link and dl represents a d-Lys analogue) hybridized with its complementary antiparallel DNA has been solved at a 1.66-A resolution by means of a single-wavelength anomalous diffraction experiment on a brominated derivative. Thed-Lys-based chiral PNA-DNA (LPD) heteroduplex adopts the so-called P-helix conformation. From the substantial similarity between the PNA conformation in LPD and the conformations observed in other PNA structures, it can be concluded that PNAs possess intrinsic conformational preferences for the P-helix, and that their flexibility is rather restricted. The conformational rigidity of PNAs is enhanced by the presence of the chiral centers, limiting the ability of PNA strands to adopt other conformations and, ultimately, increasing the selectivity in molecular recognition.
机译：肽核酸（PNA）是寡核苷酸类似物，其中糖磷酸骨架被假肽骨架取代。它们以高特异性和选择性结合DNA和RNA，导致PNA-RNA和PNA-DNA杂种比相应的核酸复合物更稳定。 PNA对核酸的结合亲和力和选择性可以通过将立体异构中心（例如基于d-Lys的单元）引入PNA骨架来进行修改。为了研究手性PNA的结构特征，包含三个基于d-Lys的单体（即H-GpnTpnApnGpnAdlTdlCdlApnCpnTpn-NH2，其中pn代表伪肽连接，dl代表d-Lys类似物）的PNA decamer的结构通过对溴化衍生物的单波长异常衍射实验，已经以1.66-A的分辨率解决了互补的反平行DNA。基于d-Lys的手性PNA-DNA（LPD）异源双链体采用了所谓的P-螺旋构象。根据LPD中PNA构象与其他PNA结构中观察到的构象之间的实质相似性，可以得出结论，PNA对P-螺旋具有固有的构象偏好，并且其灵活性受到很大限制。手性中心的存在增强了PNA的构象刚性，限制了PNA链采用其他构象的能力，并最终提高了分子识别的选择性。

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