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Molecular basis for antifreeze activity difference of two insect antifreeze protein isoforms

Science China Chemistry 2007年第2期50卷 266-271页

作者： ZHOU YanXia TAN HongWei YANG ZuoYin JIA ZongChao LIU RuoZhuang CHEN GuangJu Department of Chemistry Beijing Normal UniversityBeijing 100875China Faculty of Science Beijing University of Chemical TechnologyBeijing 100029China Department of Biochemistry Queen’s UniversityKingstonOntarioK7L3N6Canada

The insect spruce budworm(Choristoneura fumiferana) produces antifreeze protein(AFP) to assist in the protection of the over-wintering larval stage and contains multiple isoforms. Structures for two isoforms,known as CfAFP-501 and CfAFP-337,show that both possess similar left-handed β-helical structure,although thermal hysteresis activity of the longer isoform CfAFP-501 is three times that of CfAFP-337. The markedly enhanced activity of CfAFP-501 is not proportional to,and cannot be simply accounted for,by the increased ice-binding site resulting from the two extra coils in CfAFP-501. In or-der to investigate the molecular basis for the activity difference and gain better understanding of AFPs in general,we have employed several different computational methods to systematically study the structural properties and ice interactions of the AFPs and their deletion models. In the context of intact AFPs,a majority of the coils in CfAFP-501 has better ice interaction and causes stronger ice lattice disruption than CfAFP-337,strongly suggesting a cooperative or synergistic effect among β-helical coils. The synergistic effect would play a critical role and make significant contributions to the anti-freeze activity β-helical antifreeze proteins. This is the first time that synergistic effect and its implica-tion for antifreeze activity are reported for β-helical antifreeze proteins.

关键词： insect antifreeze protein synergistic effect antifreeze activity β-helix quantum chemistry molecular mechanics molecular dynamics

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