title: Evolution-Inspired Computational Design of Symmetric Proteins.
abstract: Monomeric proteins with a number of identical repeats creating symmetrical structures are potentially very valuable building blocks with a variety of bionanotechnological applications. As such proteins do not occur naturally, the emerging field of computational protein design serves as an excellent tool to create them from nonsymmetrical templates. Existing pseudo-symmetrical proteins are believed to have evolved from oligomeric precursors by duplication and fusion of identical repeats. Here we describe a computational workflow to reverse-engineer this evolutionary process in order to create stable proteins consisting of identical sequence repeats.
authors.affiliation: Laboratory for Biomolecular Modelling and Design, KU Leuven, Celestijnenlaan 200G, Leuven, 3000, Belgium. arnout.voet@kuleuven.be.
authors.forename: Arnout R D
authors.initials: AR
authors.lastname: Voet
authors.affiliation: Structural Bioinformatics Team, Division of Structural and Synthetic Biology, Center for Life Science Technologies, RIKEN, 1-7-22 Suehiro, Yokohama, Kanagawa, 230-0045, Japan.|MIAT, UR-875, INRA, F-31320, Castanet Tolosan, France.
authors.forename: David
authors.initials: D
authors.lastname: Simoncini
authors.affiliation: Drug Design Laboratory, Graduate School of Medical Life Science, Yokohama City University, 1-7-29 Suehiro, Yokohama, Kanagawa, 230-0045, Japan.
authors.forename: Jeremy R H
authors.initials: JR
authors.lastname: Tame
authors.affiliation: Structural Bioinformatics Team, Division of Structural and Synthetic Biology, Center for Life Science Technologies, 1-7-22 Suehiro, Yokohama, Kanagawa, 230-0045, Japan.
authors.forename: Kam Y J
authors.initials: KY
authors.lastname: Zhang
mesh_terms: D000595:Amino Acid Sequence; D019295:Computational Biology / Q000379:methods*; D017124:Conserved Sequence; D030541:Databases, Genetic; D019143:Evolution, Molecular; D008958:Models, Molecular; D011487:Protein Conformation; D015202:Protein Engineering / Q000379:methods*; D011506:Proteins / Q000737:chemistry* / Q000235:genetics*; D012984:Software
chemical_list: D011506:Proteins
keywords: Ancestral reconstruction; Computational protein design; Evolution; Repeat proteins; Rosetta; Symmetrical proteins