X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions.

X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions. Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Troisi, R, Russo Krauss, I, Sica, F. Deposit date: 2017-11-02 Release date: 2018-10-24 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer. Nucleic Acids Res., 46, 2018

本数据集为钾离子存在条件下，人α凝血酶（human alpha thrombin）与双链/四链26聚体脱氧核糖核酸（DNA）适配体（aptamer）NU172所形成复合物的X射线晶体结构。配体标识：D-苯丙酰基-N-[(2S,3S)-6-{[氨基(亚氨基)甲基]氨基}-1-氯-2-羟基己-3-基]-L-脯氨酰胺、甘油（GLYCEROL）、N-乙酰-α-神经氨酸-(2→6)-β-D-半乳糖吡喃糖-(1→4)-2-乙酰氨基-2-脱氧-β-D-葡萄糖吡喃糖-(1→2)-α-D-甘露糖吡喃糖-(1→6)-[α-D-甘露糖吡喃糖-(1→3)]β-D-甘露糖吡喃糖-(1→4)-2-乙酰氨基-2-脱氧-β-D-葡萄糖吡喃糖-(1→4)-2-乙酰氨基-2-脱氧-β-D-葡萄糖吡喃糖……作者：Troisi R、Russo Krauss I、Sica F。提交日期：2017-11-02；发布日期：2018-10-24；最后修订日期：2024-11-06。实验方法：X射线衍射法（X-RAY DIFFRACTION），分辨率2.5埃（Å）。引用文献：NU172适配体的高效抗凝血酶活性由多种结构基序协同决定。《核酸研究》（Nucleic Acids Res.），第46卷，2018年。