論文

査読有り
2010年4月

Protein Collective Motions Coupled to Ligand Migration in Myoglobin

BIOPHYSICAL JOURNAL
  • Yasutaka Nishihara
  • ,
  • Shigeki Kato
  • ,
  • Shigehiko Hayashi

98
8
開始ページ
1649
終了ページ
1657
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1016/j.bpj.2009.12.4318
出版者・発行元
CELL PRESS

Ligand migration processes inside myoglobin and protein dynamics coupled to the migration were theoretically investigated with molecular dynamics simulations. Based on a linear response theory, we identified protein motions coupled to the transient migration of ligand, carbon monoxide (CO), through channels. The result indicates that the coupled protein motions involve collective motions extended over the entire protein correlated with local gating motions at the channels. Protein motions, coupled to opening of a channel from the distal pocket to a neighboring xenon site, were found to share the collective motion with experimentally observed protein motions coupled to a doming motion of the heme Fe atom upon photodissociation of the ligand. Analysis based on generalized Langevin dynamics elucidated slow and diffusive features of the protein response motions. Remarkably small transmission coefficients for rates of the CO migrations through myoglobin were found, suggesting that the CO migration dynamics are characterized as motions governed by the protein dynamics involving the collective motions, rather than as thermally activated transitions across energy barriers of well-structured channels.

リンク情報
DOI
https://doi.org/10.1016/j.bpj.2009.12.4318
J-GLOBAL
https://jglobal.jst.go.jp/detail?JGLOBAL_ID=201102231627460610
PubMed
https://www.ncbi.nlm.nih.gov/pubmed/20409486
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000276939800033&DestApp=WOS_CPL
ID情報
  • DOI : 10.1016/j.bpj.2009.12.4318
  • ISSN : 0006-3495
  • J-Global ID : 201102231627460610
  • PubMed ID : 20409486
  • Web of Science ID : WOS:000276939800033

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