Kansai Photon Science Institute >> KPSI Seminar >> De novo main-chain modeling for EM maps using MAINMAST
Seminar
The 39th KPSI Seminar
De novo main-chain modeling for EM maps using MAINMAST
| Presentor | Prof. KIHARA Daisuke （Department of Biological & Computer Science, Purdue University, USA） |
|---|---|
| Place | ITBL G201 room（KPSI） |
| Date | 11:00 - (Wed.) July 04, 2018 |
| Language | English |
| abstract | [PDFfile／182KB] |
De novo main-chain modeling for EM maps using MAINMAST
Prof. KIHARA Daisuke
（Department of Biological & Computer Science, Purdue University, USA）
abstract
An increasing number of protein structures are determined by cryo-electron microscopy (cryo-EM) at near atomic resolution. However, tracing the main-chains and building full-atom models from EM maps of ~4–5Å is still not trivial and remains a time-consuming task. Here, we introduce a fully automated de novo structure modeling method, MAINMAST, which builds three-dimensional models of a protein from a near-atomic resolution EM map. The method directly traces the protein’s main-chain and identifies Cα positions as tree-graph structures in the EM map. MAINMAST performs significantly better than existing software in building global protein structure models on data sets of 40 simulated density maps at 5Å resolution and 30 experimentally determined maps at 2.6–4.8Å resolution. In another benchmark of building missing fragments in protein models for EM maps, MAINMAST builds fragments of 11–161 residues long with an average RMSD of 2.68Å.
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