1QYS

Crystal structure of Top7: A computationally designed protein with a novel fold

1QYS の概要

• エントリーDOI: 10.2210/pdb1qys/pdb
• 分子名称: TOP7 (2 entities in total)
• 機能のキーワード: alpha-beta, computationally designed, novel fold, de novo protein
• 由来する生物種: Computationally Designed Sequence
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 12130.25

構造登録者

Kuhlman, B.,Dantas, G.,Ireton, G.C.,Varani, G.,Stoddard, B.L.,Baker, D. (登録日: 2003-09-11, 公開日: 2003-11-25, 最終更新日: 2024-10-30)

主引用文献

Kuhlman, B.,Dantas, G.,Ireton, G.C.,Varani, G.,Stoddard, B.L.,Baker, D.
Design of a Novel Globular Protein Fold with Atomic-Level Accuracy
Science, 302:1364-1368, 2003

PubMed Abstract: A major challenge of computational protein design is the creation of novel proteins with arbitrarily chosen three-dimensional structures. Here, we used a general computational strategy that iterates between sequence design and structure prediction to design a 93-residue alpha/beta protein called Top7 with a novel sequence and topology. Top7 was found experimentally to be folded and extremely stable, and the x-ray crystal structure of Top7 is similar (root mean square deviation equals 1.2 angstroms) to the design model. The ability to design a new protein fold makes possible the exploration of the large regions of the protein universe not yet observed in nature.

PubMed: 14631033
DOI: 10.1126/science.1089427

実験手法

X-RAY DIFFRACTION (2.5 Å)