A method for mapping macromolecular complex structures to genome and mutation databases

Abstract

The present invention discloses a method for mapping macromolecular complex structures to genome and mutation databases. The present invention includes calculating the distance between protein-macromolecules (protein / RNA / DNA) to obtain the binding site of the complex structure; mapping the protein / RNA / DNA to the genome; mapping the obtained genome coordinates to the disease database to obtain disease information. The invention can map the three-dimensional complex structure of protein-macromolecule to the genome and mutation database, and find that a large number of mutations occur on the protein-macromolecule interaction interface, and these mutations can affect the interaction between protein and macromolecule by changing the binding free energy effect, leading to disease. The invention acts as a good bridge between structure, gene and disease, and helps to understand the pathogenesis of disease from polygene and structure-based drug design.

Description

technical field [0001] The invention belongs to the field of structure and genome information research, and more specifically relates to a method for mapping macromolecular complex structures to genome and mutation databases. Background technique [0002] With the development of sequencing technology, more and more pathogenic mutations have been discovered, but the pathogenic mechanism of these mutations is still not fully understood. Linking these mutations to the three-dimensional structures that determine function, especially in disease-associated protein-macromolecule complexes, may help unravel these mysteries. For this reason, scientists have been studying this question for decades. [0003] Literature (Lu, et al. Bioinformatics, 32(16), 2016, 2534–2536) and (Segura, et al. Bioinformatics, 35(18), 2019, 3512–3513) respectively disclose that protein-protein interaction networks can be analyzed Mutations in PinSnps and 3DBIONOTESv3.0. Both methods visualize protein-pr...

AI Technical Summary

Problems solved by technology

Although the previous methods can map the mutation information to the protein structure well, these methods only consider the mutation information on the protein, but not the mutation on the RNA / DNA, which will undoubtedly affect our understanding of the molecular mechanism of pathogenic mutations. understanding

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