Local Ice Melting by an Antifreeze Protein

被引:20
作者
Calvaresi, Matteo [1 ]
Hoefinger, Siegfried [1 ,2 ]
Zerbetto, Francesco [1 ]
机构
[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
[2] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
关键词
WINTER FLOUNDER ANTIFREEZE; MOLECULAR-DYNAMICS SIMULATIONS; SECONDARY STRUCTURE ASSIGNMENT; GROWTH-INHIBITION; FREEZING RESISTANCE; CRYSTAL-SURFACE; FREE-ENERGY; BINDING; PEPTIDES; MECHANISM;
D O I
10.1021/bm300366f
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
Antifreeze proteins, AFP, impede freezing of bodily fluids and damaging of cellular tissues by low temperatures. Adsorption-inhibition mechanisms have been developed to explain their functioning. Using in silico Molecular Dynamics, we show that type I AFP can also induce melting of the local ice surface. Simulations of antifreeze-positive and antifreeze-negative mutants show a clear correlation between melting induction and antifreeze activity. The presence of local melting adds a function to type I AFPs that is unique to these proteins. It may also explain some apparently conflicting experimental results where binding to ice appears both quasipermanent and reversible.
引用
收藏
页码:2046 / 2052
页数:7
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