학술논문

DEMO-EM2: assembling protein complex structures from cryo-EM maps through intertwined chain and domain fitting.
Document Type
Article
Source
Briefings in Bioinformatics. Mar2024, Vol. 25 Issue 2, p1-11. 11p.
Subject
*PROTEIN structure
*BIOMACROMOLECULES
*PROTEIN structure prediction
*PROTEIN models
*ATOMIC structure
Language
ISSN
1467-5463
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. [ABSTRACT FROM AUTHOR]