Thermal fluctuations of haemoglobin from different species: adaptation to temperature via conformational dynamics.
Thermal fluctuations of haemoglobin from different species: adaptation to temperature via conformational dynamics.
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DOI：
10.1098/rsif.2012.0364
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发表时间：
2012-11-07
期刊：
影响因子：
--
通讯作者：
Zaccai G
中科院分区：
文献类型：
--
作者：
Stadler AM;Garvey CJ;Bocahut A;Sacquin-Mora S;Digel I;Schneider GJ;Natali F;Artmann GM;Zaccai G
采用圆二色性、非相干弹性中子散射和粗粒布朗动力学方法研究了3种内温动物（鸭嘴兽、家鸡和人）和1种外温动物（咸水鳄和鳄鱼）血红蛋白（Hb）的热力学稳定性、构型运动和内力. Hb溶液的实验结果显示，蛋白质弹性，熔化温度和平均体温的不同物种的0.1 ns的时间尺度上的直接相关性。分子力似乎是适应允许构象波动的均方根位移接近1.2 ℃，在相应的平均体温的吸热。鳄鱼血红蛋白中的强大力量在动物生活的整个温度范围内将运动幅度保持在一个狭窄的限度内。在完全水合粉末样品的人和鸡，血红蛋白均方位移和有效力常数在1 ns的时间尺度上显示没有差异，在整个温度范围从10到300 K，在相反的解决方案的情况下。因此，该研究的一个补充结果是，一个水化层不足以在皮科至纳秒的时间尺度上激活Hb的所有构象波动，这可能与生物功能相关。粗粒度的布朗动力学模拟允许探索残留特定的影响。他们指出，人和鸡血红蛋白的温度感应主要发生在β亚基内部空腔的残留物上。
Thermodynamic stability, configurational motions and internal forces of haemoglobin (Hb) of three endotherms (platypus, Ornithorhynchus anatinus; domestic chicken, Gallus gallus domesticus and human, Homo sapiens) and an ectotherm (salt water crocodile, Crocodylus porosus) were investigated using circular dichroism, incoherent elastic neutron scattering and coarse-grained Brownian dynamics simulations. The experimental results from Hb solutions revealed a direct correlation between protein resilience, melting temperature and average body temperature of the different species on the 0.1 ns time scale. Molecular forces appeared to be adapted to permit conformational fluctuations with a root mean square displacement close to 1.2 Å at the corresponding average body temperature of the endotherms. Strong forces within crocodile Hb maintain the amplitudes of motion within a narrow limit over the entire temperature range in which the animal lives. In fully hydrated powder samples of human and chicken, Hb mean square displacements and effective force constants on the 1 ns time scale showed no differences over the whole temperature range from 10 to 300 K, in contrast to the solution case. A complementary result of the study, therefore, is that one hydration layer is not sufficient to activate all conformational fluctuations of Hb in the pico- to nanosecond time scale which might be relevant for biological function. Coarse-grained Brownian dynamics simulations permitted to explore residue-specific effects. They indicated that temperature sensing of human and chicken Hb occurs mainly at residues lining internal cavities in the β-subunits.
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影响因子：
3.4
作者：
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DOI：
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发表时间：
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影响因子：
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作者：
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通讯作者：
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