Patterns and networks of hydrogen-bonds in the hydration structure of human lysozyme

Tsuyoshi Yokomizo, Junich Higo, Masayoshi Nakasako

研究成果: Article査読

24 被引用数 (Scopus)

抄録

Hydration structures of human lysozyme were analyzed by focusing on time-averaged and instantaneous hydrogen-bond (H-bond) patterns in a molecular dynamics simulation trajectory. The time-averaged H-bond patterns were significant only near the protein surface and showed good correlation with crystal-water sites found in a cryogenic crystal structure, and the H-bond networks warped the entire protein surface. The temporal persistence of the networks regarding their shape and organization depended on the surface topography. Particularly, the networks in the large active-site cleft retained their organization for a long period. The implication of H-bond networks on the biological function was discussed in referring the crystal structure of a lysozyme-substrate complex.

本文言語English
ページ(範囲)31-35
ページ数5
ジャーナルChemical Physics Letters
410
1-3
DOI
出版ステータスPublished - 2005 7 10

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

フィンガープリント

「Patterns and networks of hydrogen-bonds in the hydration structure of human lysozyme」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル