Ice-Nucleating and Antifreeze Proteins Recognize Ice Through a Diversity of Anchored Clathrate and Ice-Like Motifs,Journal of the American Chemical Society

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Ice-Nucleating and Antifreeze Proteins Recognize Ice Through a Diversity of Anchored Clathrate and Ice-Like Motifs
Journal of the American Chemical Society ( IF 14.4 ) Pub Date : 2018-03-22 , DOI: 10.1021/jacs.8b01246
Arpa Hudait ₁ , Nathan Odendahl ₁ , Yuqing Qiu ₁ , Francesco Paesani ₂ , Valeria Molinero ₁

Affiliation

Cold-adapted organisms produce antifreeze and ice-nucleating proteins to prevent and promote ice formation. The crystal structure of hyperactive bacterial antifreeze protein (AFP) MpAFP suggests that this protein binds ice through an anchored clathrate motif. It is not known whether other hyperactive AFPs and ice-nucleating proteins (INPs) use the same motif to recognize or nucleate ice. Here we use molecular simulations to elucidate the ice-binding motifs of hyperactive insect AFPs and a model INP of Pseudomonas syringae. We find that insect AFPs recognize ice through anchored clathrate motifs distinct from that of MpAFP. By performing simulations of ice nucleation by PsINP, we identify two distinct ice-binding sites on opposite sides of the β-helix. The ice-nucleating sequences identified in the simulations agree with those previously proposed for the closely related INP of Pseudomonas borealis based on the structure of the protein. The simulations indicate that these sites have comparable ice-nucleating efficiency, but distinct binding motifs, controlled by the amino acid sequence: one is an anchored clathrate and the other ice-like. We conclude that anchored clathrate and ice-like motifs can be equally effective for binding proteins to ice and promoting ice nucleation.

中文翻译：

冰成核和抗冻蛋白通过锚定包合物和冰样图案的多样性识别冰

适应寒冷的生物体会产生防冻剂和冰核蛋白，以防止和促进冰的形成。过度活跃的细菌抗冻蛋白 (AFP) MpAFP 的晶体结构表明该蛋白通过锚定的包合物基序与冰结合。目前尚不清楚其他高活性 AFP 和冰成核蛋白 (INP) 是否使用相同的基序来识别或使冰成核。在这里，我们使用分子模拟来阐明过度活跃的昆虫 AFP 的冰结合基序和丁香假单胞菌的模型 INP。我们发现昆虫 AFP 通过与 MpAFP 不同的锚定包合物图案识别冰。通过 PsINP 对冰成核进行模拟，我们确定了 β-螺旋两侧的两个不同的冰结合位点。模拟中确定的冰成核序列与先前根据蛋白质结构为北极假单胞菌密切相关的 INP 提出的序列一致。模拟表明，这些位点具有相当的冰成核效率，但具有不同的结合基序，受氨基酸序列控制：一个是锚定的包合物，另一个是冰状的。我们得出结论，锚定的包合物和冰样基序对于将蛋白质结合到冰和促进冰成核同样有效。

更新日期：2018-03-22

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