4PNA

A de novo designed heptameric coiled coil CC-Hept

Summary for 4PNA

• Entry DOI: 10.2210/pdb4pna/pdb
• Descriptor: CC-Hept, GLYCEROL (3 entities in total)
• Functional Keywords: alpha-helical barrel, coiled coil, protein design, de novo protein
• Biological source: synthetic construct
• Total number of polymer chains: 7
• Total formula weight: 23026.42

Authors

Burton, A.J.,Wood, C.W.,Thomson, A.R.,Brady, R.L.,Woolfson, D.N. (deposition date: 2014-05-23, release date: 2014-10-22, Last modification date: 2024-11-06)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.1 Å)