严重急性呼吸综合征冠状病毒2解旋酶NSP13的核苷酸结合晶体结构。
Nucleotide-bound crystal structures of the SARS-CoV-2 helicase NSP13.
作者信息
Kloskowski Patrick, Neumann Piotr, Berndt Annette, Ficner Ralf
机构信息
Department of Molecular Structural Biology, Institute of Microbiology and Genetics, Göttingen Center of Molecular Biosciences (GZMB), University of Göttingen, Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
出版信息
Acta Crystallogr F Struct Biol Commun. 2025 Aug 1;81(Pt 8):338-347. doi: 10.1107/S2053230X25005266. Epub 2025 Jul 10.
Nucleotide-bound crystal structures of SARS-CoV-2 NSP13 in ADP- and ATP-bound states were resolved to 1.8 and 1.9 Å, respectively. The ADP-bound model captures a state immediately following ATP hydrolysis, with both ADP and orthophosphate still present in the active site. Further comparative analysis revealed that crystal packing influences NSP13 by stabilizing the nucleotide-binding site, underscoring the importance of accounting for these effects in structure-based drug design targeting NSP13.
严重急性呼吸综合征冠状病毒2（SARS-CoV-2）NSP13处于结合ADP和ATP状态的核苷酸结合晶体结构分别解析到1.8 Å和1.9 Å。结合ADP的模型捕获了ATP水解后紧接着的一个状态，活性位点中仍同时存在ADP和正磷酸盐。进一步的比较分析表明，晶体堆积通过稳定核苷酸结合位点影响NSP13，这突出了在针对NSP13的基于结构的药物设计中考虑这些影响的重要性。
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