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- W2023657602 endingPage "22D529" @default.
- W2023657602 startingPage "22D529" @default.
- W2023657602 abstract "The hydration layer surrounding a protein plays an essential role in its biochemical function and consists of a heterogeneous ensemble of water molecules with different local environments and different dynamics. What determines the degree of dynamical heterogeneity within the hydration shell and how this changes with temperature remains unclear. Here, we combine molecular dynamics simulations and analytic modeling to study the hydration shell structure and dynamics of a typical globular protein, ubiquitin, and of the spruce budworm hyperactive antifreeze protein over the 230-300 K temperature range. Our results show that the average perturbation induced by both proteins on the reorientation dynamics of water remains moderate and changes weakly with temperature. The dynamical heterogeneity arises mostly from the distribution of protein surface topographies and is little affected by temperature. The ice-binding face of the antifreeze protein induces a short-ranged enhancement of water structure and a greater slowdown of water reorientation dynamics than the non-ice-binding faces whose effect is similar to that of ubiquitin. However, the hydration shell of the ice-binding face remains less tetrahedral than the bulk and is not ice-like. We finally show that the hydrogen bonds between water and the ice-binding threonine residues are particularly strong due to a steric confinement effect, thereby contributing to the strong binding of the antifreeze protein on ice crystals." @default.
- W2023657602 created "2016-06-24" @default.
- W2023657602 creator A5034203538 @default.
- W2023657602 creator A5042246786 @default.
- W2023657602 date "2014-12-14" @default.
- W2023657602 modified "2023-10-06" @default.
- W2023657602 title "Comparative study of hydration shell dynamics around a hyperactive antifreeze protein and around ubiquitin" @default.
- W2023657602 cites W1537479324 @default.
- W2023657602 cites W1676639987 @default.
- W2023657602 cites W1877147113 @default.
- W2023657602 cites W1966108258 @default.
- W2023657602 cites W1968233744 @default.
- W2023657602 cites W1968472876 @default.
- W2023657602 cites W1971210425 @default.
- W2023657602 cites W1971801994 @default.
- W2023657602 cites W1974580048 @default.
- W2023657602 cites W1979275471 @default.
- W2023657602 cites W1987856093 @default.
- W2023657602 cites W1990866743 @default.
- W2023657602 cites W1991775910 @default.
- W2023657602 cites W1997032299 @default.
- W2023657602 cites W2000402055 @default.
- W2023657602 cites W2000456051 @default.
- W2023657602 cites W2000884955 @default.
- W2023657602 cites W2001280841 @default.
- W2023657602 cites W2002104120 @default.
- W2023657602 cites W2007299520 @default.
- W2023657602 cites W2007331423 @default.
- W2023657602 cites W2009460178 @default.
- W2023657602 cites W2009465950 @default.
- W2023657602 cites W2012742333 @default.
- W2023657602 cites W2015520136 @default.
- W2023657602 cites W2016908422 @default.
- W2023657602 cites W2017515151 @default.
- W2023657602 cites W2018227564 @default.
- W2023657602 cites W2020130975 @default.
- W2023657602 cites W2024283674 @default.
- W2023657602 cites W2026351476 @default.
- W2023657602 cites W2026779994 @default.
- W2023657602 cites W2027408247 @default.
- W2023657602 cites W2029667189 @default.
- W2023657602 cites W2032365938 @default.
- W2023657602 cites W2032638540 @default.
- W2023657602 cites W2042545194 @default.
- W2023657602 cites W2043354579 @default.
- W2023657602 cites W2045773045 @default.
- W2023657602 cites W2047692325 @default.
- W2023657602 cites W2052900158 @default.
- W2023657602 cites W2053731362 @default.
- W2023657602 cites W2054135984 @default.
- W2023657602 cites W2057838859 @default.
- W2023657602 cites W2061175110 @default.
- W2023657602 cites W2064598463 @default.
- W2023657602 cites W2064726551 @default.
- W2023657602 cites W2064943305 @default.
- W2023657602 cites W2065540462 @default.
- W2023657602 cites W2067174909 @default.
- W2023657602 cites W2068506340 @default.
- W2023657602 cites W2070206101 @default.
- W2023657602 cites W2071062622 @default.
- W2023657602 cites W2076079577 @default.
- W2023657602 cites W2076327354 @default.
- W2023657602 cites W2078216776 @default.
- W2023657602 cites W2078835284 @default.
- W2023657602 cites W2083123455 @default.
- W2023657602 cites W2083397422 @default.
- W2023657602 cites W2085350044 @default.
- W2023657602 cites W2086079563 @default.
- W2023657602 cites W2087168305 @default.
- W2023657602 cites W2087266945 @default.
- W2023657602 cites W2087718807 @default.
- W2023657602 cites W2088793989 @default.
- W2023657602 cites W2089608829 @default.
- W2023657602 cites W2090026561 @default.
- W2023657602 cites W2092682980 @default.
- W2023657602 cites W2095689418 @default.
- W2023657602 cites W2095864746 @default.
- W2023657602 cites W2100218311 @default.
- W2023657602 cites W2104529244 @default.
- W2023657602 cites W2109532360 @default.
- W2023657602 cites W2117957872 @default.
- W2023657602 cites W2120739795 @default.
- W2023657602 cites W2123526681 @default.
- W2023657602 cites W2130543047 @default.
- W2023657602 cites W2131247983 @default.
- W2023657602 cites W2131736580 @default.
- W2023657602 cites W2133694749 @default.
- W2023657602 cites W2135448686 @default.
- W2023657602 cites W2136450239 @default.
- W2023657602 cites W2141150746 @default.
- W2023657602 cites W2142706107 @default.
- W2023657602 cites W2149928611 @default.
- W2023657602 cites W2150981663 @default.
- W2023657602 cites W2156012420 @default.
- W2023657602 cites W2159382632 @default.
- W2023657602 cites W2162473929 @default.
- W2023657602 cites W2162530632 @default.
- W2023657602 cites W2162832464 @default.