Substrate binding of human and bacterial type IA topoisomerase: An experimentation with AlphaFold 3.0.

ABSTRACT: Advancements in biophysical techniques such as X-ray crystallography and Cryo-EM have allowed the determination of three-dimensional structures of many proteins and nucleic acids. There, however, is still a lack of 3D structures of proteins that are difficult to crystallize or proteins in complex with other macromolecules. With the advent of deep learning applications such as AlphaFold and RoseTTAFold, it is becoming possible to obtain 3D structures of proteins from their 1D sequences while also generating models of protein-nucleic acid complexes that have been difficult to capture through traditional methods. In this project, we utilized AlphaFold3 (AF3) to create a large number of predicted complexes of two type IA topoisomerases: human topoisomerase 3 beta (hTOP3B) and Mycobacterium

SUBMITTER: Mamun Y 

PROVIDER: S-EPMC11999072 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature