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- Title
DEMO-EM2: assembling protein complex structures from cryo-EM maps through intertwined chain and domain fitting.
- Authors
Zhang, Ziying; Cai, Yaxian; Zhang, Biao; Zheng, Wei; Freddolino, Lydia; Zhang, Guijun; Zhou, Xiaogen
- Abstract
The breakthrough in cryo-electron microscopy (cryo-EM) technology has led to an increasing number of density maps of biological macromolecules. However, constructing accurate protein complex atomic structures from cryo-EM maps remains a challenge. In this study, we extend our previously developed DEMO-EM to present DEMO-EM2, an automated method for constructing protein complex models from cryo-EM maps through an iterative assembly procedure intertwining chain- and domain-level matching and fitting for predicted chain models. The method was carefully evaluated on 27 cryo-electron tomography (cryo-ET) maps and 16 single-particle EM maps, where DEMO-EM2 models achieved an average TM-score of 0.92, outperforming those of state-of-the-art methods. The results demonstrate an efficient method that enables the rapid and reliable solution of challenging cryo-EM structure modeling problems.
- Subjects
PROTEIN structure; BIOMACROMOLECULES; PROTEIN structure prediction; PROTEIN models; ATOMIC structure
- Publication
Briefings in Bioinformatics, 2024, Vol 25, Issue 2, p1
- ISSN
1467-5463
- Publication type
Article
- DOI
10.1093/bib/bbae113