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DBBP:蛋白质-核酸相互作用中结合对数据库。

DBBP: database of binding pairs in protein-nucleic acid interactions.

出版信息

BMC Bioinformatics. 2014;15 Suppl 15(Suppl 15):S5. doi: 10.1186/1471-2105-15-S15-S5. Epub 2014 Dec 3.

Abstract

BACKGROUND

Interaction of proteins with other molecules plays an important role in many biological activities. As many structures of protein-DNA complexes and protein-RNA complexes have been determined in the past years, several databases have been constructed to provide structure data of the complexes. However, the information on the binding sites between proteins and nucleic acids is not readily available from the structure data since the data consists mostly of the three-dimensional coordinates of the atoms in the complexes.

RESULTS

We analyzed the huge amount of structure data for the hydrogen bonding interactions between proteins and nucleic acids and developed a database called DBBP (DataBase of Binding Pairs in protein-nucleic acid interactions, http://bclab.inha.ac.kr/dbbp). DBBP contains 44,955 hydrogen bonds (H-bonds) of protein-DNA interactions and 77,947 H-bonds of protein-RNA interactions.

CONCLUSIONS

Analysis of the huge amount of structure data of protein-nucleic acid complexes is labor-intensive, yet provides useful information for studying protein-nucleic acid interactions. DBBP provides the detailed information of hydrogen-bonding interactions between proteins and nucleic acids at various levels from the atomic level to the residue level. The binding information can be used as a valuable resource for developing a computational method aiming at predicting new binding sites in proteins or nucleic acids.

摘要

背景

蛋白质与其他分子的相互作用在许多生物活性中起着重要作用。由于近年来已经确定了许多蛋白质-DNA 复合物和蛋白质-RNA 复合物的结构,因此已经构建了几个数据库来提供复合物的结构数据。然而,由于数据主要由复合物中原子的三维坐标组成,因此从结构数据中无法轻易获得蛋白质和核酸之间的结合位点信息。

结果

我们分析了大量蛋白质与核酸之间氢键相互作用的结构数据,并开发了一个名为 DBBP(蛋白质-核酸相互作用中结合对数据库,http://bclab.inha.ac.kr/dbbp)的数据库。DBBP 包含 44955 个蛋白质-DNA 相互作用的氢键(H-键)和 77947 个蛋白质-RNA 相互作用的 H-键。

结论

对大量蛋白质-核酸复合物的结构数据进行分析是一项劳动密集型工作,但为研究蛋白质-核酸相互作用提供了有用的信息。DBBP 提供了从原子水平到残基水平的蛋白质与核酸之间氢键相互作用的详细信息。该结合信息可作为开发旨在预测蛋白质或核酸中新结合位点的计算方法的有价值资源。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2e81/4271565/449e121a6b98/1471-2105-15-S15-S5-1.jpg

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