1. Detecting protein and DNA/RNA structures in cryo-EM maps of intermediate resolution using deep learning
- Author
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Tunde Aderinwale, Xiao Wang, Eman Alnabati, Daisuke Kihara, Sai Raghavendra Maddhuri Venkata Subramaniya, and Genki Terashi
- Subjects
0301 basic medicine ,Models, Molecular ,Cryo-electron microscopy ,Science ,Biophysics ,General Physics and Astronomy ,computer.software_genre ,01 natural sciences ,Convolutional neural network ,General Biochemistry, Genetics and Molecular Biology ,Article ,Protein Structure, Secondary ,03 medical and health sciences ,Computational biophysics ,Protein structure ,Deep Learning ,Voxel ,Cryoelectron microscopy ,Protein secondary structure ,Physics ,Multidisciplinary ,010405 organic chemistry ,business.industry ,Deep learning ,Resolution (electron density) ,RNA ,Computational Biology ,General Chemistry ,DNA ,0104 chemical sciences ,030104 developmental biology ,Nucleic Acid Conformation ,Artificial intelligence ,Biological system ,business ,computer ,Software ,Macromolecule - Abstract
An increasing number of density maps of macromolecular structures, including proteins and DNA/RNA complexes, have been determined by cryo-electron microscopy (cryo-EM). Although lately maps at a near-atomic resolution are routinely reported, there are still substantial fractions of maps determined at intermediate or low resolutions, where extracting structure information is not trivial. Here, we report a new computational method, Emap2sec+, which identifies DNA or RNA as well as the secondary structures of proteins in cryo-EM maps of 5 to 10 Å resolution. Emap2sec+ employs the deep Residual convolutional neural network. Emap2sec+ assigns structural labels with associated probabilities at each voxel in a cryo-EM map, which will help structure modeling in an EM map. Emap2sec+ showed stable and high assignment accuracy for nucleotides in low resolution maps and improved performance for protein secondary structure assignments than its earlier version when tested on simulated and experimental maps., It is challenging to extract structural information from EM density maps at intermediate or low resolutions. Here, the authors present Emap2sec+, a program for detecting nucleotides and protein secondary structures in EM density maps at 5 to 10 Å resolution.
- Published
- 2021