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Packing Arrangements and Intersheet Interaction of Alanine Oligopeptides As Revealed by Relaxation Parameters Obtained from High-Resolution 13C Solid-State NMR
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-09-19 00:00:00 , DOI: 10.1021/acs.jpcb.7b07068
Akira Naito 1 , Yugo Tasei 1 , Akio Nishimura 1 , Tetsuo Asakura 1
Affiliation  

Alanine oligopeptides provide a key structure of the crystalline domains of the silks from spiders and wild silkworm and also the sequences included in proteins such as antifreeze proteins and amyloids. In this paper, the local dynamics of alanine oligopeptides, (Ala)3, (Ala)4, and (Ala)6 were examined by high-resolution 13C solid-state NMR. The 13C spin–lattice relaxation times (T1’s) for the Cβ4 carbons of antiparallel (AP)-β-sheet (Ala)4 significantly prolonged and the correlation time was estimated as 3.6 × 10–11 s which was shorter than those of other carbons in the AP-β-sheet (Ala)4 (2.8 × 10–10 s). The T1 values for the Cβ carbons of (Ala)6 showed significantly longer correlation time (8.8 × 10–9 s) than those of AP-β-sheet (Ala)4. It is thus revealed that AP-β-sheet (Ala)6 exhibited stronger intersheet interaction than those of AP-β-sheet (Ala)4. The 13C spin–spin relaxation times (T2’s) for the Cβ4 carbons showed longer than those of the other Cβ1–3 carbons of AP-β-sheet (Ala)4. T2 values of Cβ carbons reflect the slow time-scale (∼70 kHz) backbone motions. The C-terminal forms strong hydrogen bonds with water molecules and thus the backbone motion is slower than ∼70 kHz, while the central backbone motions are faster than ∼70 kHz in the AP-β-sheet (Ala)4.

中文翻译:

由高分辨率13 C固态NMR获得的弛豫参数显示的丙氨酸寡肽的堆积安排和片间相互作用

丙氨酸寡肽提供了来自蜘蛛和野生蚕的丝的晶体结构域的关键结构,以及蛋白质中所包含的序列,例如抗冻蛋白和淀粉样蛋白。在本文中,通过高分辨率13 C固态NMR检测了丙氨酸寡肽(Ala)3,(Ala)4和(Ala)6的局部动力学。反平行(AP)-β-折叠(Ala)4的Cβ4碳的13 C自旋-晶格弛豫时间(T 1)明显延长,相关时间估计为3.6×10 –11 s,短于AP-β-sheet(Ala)4中其他碳的碳原子数(2.8×10 –10 s)。(Ala)6的Cβ碳的T 1值显示出比AP-β-sheet(Ala)4显着更长的相关时间(8.8×10 –9 s)。因此,揭示了AP-β-片层(Ala)6比AP-β-片层(Ala)4表现出更强的片间相互作用。Cβ4碳的13 C自旋自旋弛豫时间(T 2)比AP-β-sheet(Ala)4的其他Cβ1-3碳更长。Ť 2Cβ碳的值反映了缓慢的时标(〜70 kHz)主干运动。C-末端与水分子形成很强的氢键,因此在AP-β-sheet(Ala)4中,主干运动的速度比〜70 kHz慢,而主干运动的速度比〜70 kHz快。
更新日期:2017-09-20
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