Computational de novo design of a four-helix bundle protein--DND_4HB.

ABSTRACT: The de novo design of proteins is a rigorous test of our understanding of the key determinants of protein structure. The helix bundle is an interesting de novo design model system due to the diverse topologies that can be generated from a few simple α-helices. Previously, noncomputational studies demonstrated that connecting amphipathic helices together with short loops can sometimes generate helix bundle proteins, regardless of the bundle's exact sequence. However, using such methods, the precise positions of helices and side chains cannot be predetermined. Since protein function depends on exact positioning of residues, we examined if sequence design tools in the program Rosetta could be used to design a four-helix bundle with a predetermined structure. Helix position was specified using

SUBMITTER: Murphy GS 

PROVIDER: S-EPMC4380976 | biostudies-literature | 2015 Apr

REPOSITORIES: biostudies-literature