Using α-Helical Coiled-Coils to Design Nanostructured Metalloporphyrin Arrays

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Departmental Papers (Chemistry)
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Amino Acid Sequence
Circular Dichroism
Computer Simulation
Electron Spin Resonance Spectroscopy
Ferric Compounds
Metalloporphyrins
Models, Molecular
Molecular Conformation
Molecular Sequence Data
Molecular Weight
Nanostructures
Peptides
Protein Structure, Secondary
Spectrophotometry, Ultraviolet
Thermodynamics
Amino Acid Sequence
Circular Dichroism
Computer Simulation
Electron Spin Resonance Spectroscopy
Ferric Compounds
Metalloporphyrins
Models
Molecular
Molecular Conformation
Molecular Sequence Data
Molecular Weight
Nanostructures
Peptides
Protein Structure
Secondary
Spectrophotometry
Ultraviolet
Thermodynamics
Biochemistry
Organic Chemistry
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McAllister, Karen A
Zou, Hongling
Cochran, Frank V
Bender, Gretchen M
Senes, Alessandro
Fry, H Christopher
Nanda, Vikas
Keenan, Patricia A
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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.

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2008-09-10
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Journal of the American Chemical Society
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