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From my 2017 ctp paper:
Actually, the C-terminal β-hairpin of the protein G (41-56 in the sequence), whose central region is seqC, has been extensively studied as a model β-hairpin [44−46] and found to be very stable in aqueous solution.
[44] V. Mun ̃oz, P. A. Thompson, J. Hofrichter, and W. A. Eaton, Nature (London) 390 (1997) 196.
[45] B. Y. Ma and R. Nussinov, J. Mol. Biol. 296 (2000) 1091.
[46] D. G. Du, Y. J. Zhu, C. Y. Huang, and F. Gai, Proc. Natl. Acad. Sci. U. S. A. 101 (2004) 15915.
肖奕2008年的Observation of multiple folding pathways of b-hairpin
trpzip2 from independent continuous folding trajectories
也是支持turn region forms first的。
Cochran[1]等首先设计了所谓的tryptophan zippers (trpzips),并在NMR波谱仪上观测到了beta hairpin结构。pdb file 1lz1
几种trpzips的序列:
trpzips just another beta-hairpin compared with gb1. (sometimes GB1)
下图展示了各种Peptides的折叠概率:
可以看出trpzips相比gb1的优势,虽然折叠原理上是一致的。
此外,trpzip1-3只有12个residues的长度,是最短的。在这三个当中,trpzip2是折叠的最快的[2]。
文章[2]中也做了MD模拟,用的是[1]中的结构。
【1】Cochran A G, Skelton N J, Starovasnik M A. Tryptophan zippers: Stable, monomeric β-hairpins[J]. Proceedings of the National Academy of Sciences, 2001, 98(10): 5578-5583.
【2】Snow C D, Qiu L, Du D, et al. Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy[J]. Proceedings of the National Academy of Sciences, 2004, 101(12): 4077-4082.
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