4PNB

A de novo designed hexameric coiled coil CC-Hex3.

4PNB の概要

• エントリーDOI: 10.2210/pdb4pnb/pdb
• 分子名称: CC-Hex3 (2 entities in total)
• 機能のキーワード: de novo protein, artificially designed - often synthetic, alpha-helical barrel, coiled coil, protein design, peptide .
• 由来する生物種: synthetic construct
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 13203.45

構造登録者

Wood, C.W.,Burton, A.J.,Thomson, A.R.,Brady, R.L.,Woolfson, D.N. (登録日: 2014-05-23, 公開日: 2014-10-22, 最終更新日: 2024-11-06)

主引用文献

Thomson, A.R.,Wood, C.W.,Burton, A.J.,Bartlett, G.J.,Sessions, R.B.,Brady, R.L.,Woolfson, D.N.
Computational design of water-soluble alpha-helical barrels.
Science, 346:485-488, 2014

PubMed Abstract: 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.

PubMed: 25342807
DOI: 10.1126/science.1257452

実験手法

X-RAY DIFFRACTION (2.052 Å)