title: Using alpha-helical coiled-coils to design nanostructured metalloporphyrin arrays.
abstract: We have developed a computational design strategy based on the alpha-helical coiled-coil to generate modular peptide motifs capable of assembling into metalloporphyrin arrays of varying lengths. The current study highlights the extension of a two-metalloporphyrin array to a four-metalloporphyrin array through the incorporation of a coiled-coil repeat unit. Molecular dynamics simulations demonstrate that the initial design evolves rapidly to a stable structure with a small rmsd compared to the original model. Biophysical characterization reveals elongated proteins of the desired length, correct cofactor stoichiometry, and cofactor specificity. The successful extension of the two-porphyrin array demonstrates how this methodology serves as a foundation to create linear assemblies of organized electrically and optically responsive cofactors.
authors: Department of Biochemistry and Molecular Biophysics, Johnson Foundation, School of Medicine, University of Pennsylvania, Philadelphia, Pennsylvania 19104, USA.
authors: Karen A
authors: KA
authors: McAllister
authors: Hongling
authors: H
authors: Zou
authors: Frank V
authors: FV
authors: Cochran
authors: Gretchen M
authors: GM
authors: Bender
authors: Alessandro
authors: A
authors: Senes
authors: H Christopher
authors: HC
authors: Fry
authors: Vikas
authors: V
authors: Nanda
authors: Patricia A
authors: PA
authors: Keenan
authors: James D
authors: JD
authors: Lear
authors: Jeffery G
authors: JG
authors: Saven
authors: Michael J
authors: MJ
authors: Therien
authors: J Kent
authors: JK
authors: Blasie
authors: William F
authors: WF
authors: DeGrado
mesh_terms: D000595:Amino Acid Sequence; D002942:Circular Dichroism; D003198:Computer Simulation; D004578:Electron Spin Resonance Spectroscopy; D005290:Ferric Compounds / Q000138:chemical synthesis / Q000737:chemistry; D008665:Metalloporphyrins / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D008970:Molecular Weight; D049329:Nanostructures / Q000737:chemistry*; D010455:Peptides / Q000138:chemical synthesis / Q000737:chemistry*; D017433:Protein Structure, Secondary; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics
chemical_list: D005290:Ferric Compounds; D008665:Metalloporphyrins; D010455:Peptides