气候变化领域集成服务门户(CCPortal): Computational design of water-soluble α-helical barrels

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DOI	10.1126/science.1257452
	Computational design of water-soluble α-helical barrels
	Thomson A.R.; Wood C.W.; Burton A.J.; Bartlett G.J.; Sessions R.B.; Brady R.L.; Woolfson D.N.
发表日期	2014
ISSN	0036-8075
起始页码	485
结束页码	488
卷号	346 期号:6208
英文摘要	The design of protein sequences that fold into prescribed de novo structures is challenging. General solutions to this problem require geometric descriptions of protein folds and methods to fit sequences to these. The α-helical coiled coils present a promising class of protein for this and offer considerable scope for exploring hitherto unseen structures. For α-helical barrels, which have more than four helices and accessible central channels, many of the possible structures remain unobserved. Here, we combine geometrical considerations, knowledge-based scoring, and atomistic modeling to facilitate the design of new channel-containing α-helical barrels. X-ray crystal structures of the resulting designs match predicted in silico models. Furthermore, the observed channels are chemically defined and have diameters related to oligomer state, which present routes to design protein function. © 2014, American Association for the Advancement of Science. All rights reserved.
英文关键词	oligomer; water; peptide; water; computer simulation; design; diameter; geometry; prediction; protein; solubilization; amino acid sequence; Article; atom; computer model; crystal structure; protein folding; protein function; protein structure; article; biology; chemical structure; chemistry; protein secondary structure; solubility; Computational Biology; Models, Molecular; Peptides; Protein Structure, Secondary; Solubility; Water
语种	英语
来源期刊	Science
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/245735
作者单位	School of Chemistry, University of Bristol, Cantock's Close, Bristol, BS8 1TS, United Kingdom; School of Biochemistry, University of Bristol, Medical Sciences Building, University Walk, Bristol, BS8 1TD, United Kingdom
推荐引用方式 GB/T 7714	Thomson A.R.,Wood C.W.,Burton A.J.,et al. Computational design of water-soluble α-helical barrels[J],2014,346(6208).
APA	Thomson A.R..,Wood C.W..,Burton A.J..,Bartlett G.J..,Sessions R.B..,...&Woolfson D.N..(2014).Computational design of water-soluble α-helical barrels.Science,346(6208).
MLA	Thomson A.R.,et al."Computational design of water-soluble α-helical barrels".Science 346.6208(2014).