関西光科学研究所　|　第39回KPSIセミナー 分解能4～6Åのクライオ電子顕微鏡データによるタンパク質構造決定

関西光科学研究所 >> KPSIセミナー >> 分解能4～6Åのクライオ電子顕微鏡データによるタンパク質構造決定

セミナー

第39回KPSIセミナー

分解能4～6Åのクライオ電子顕微鏡データによるタンパク質構造決定

分解能4～6Åのクライオ電子顕微鏡データによるタンパク質構造決定

Prof. Daisuke Kihara
（米国パデュー大学 生物計算科学部）

概要

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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