title: A Two-Tailed Phosphopeptide Crystallizes to Form a Lamellar Structure.
abstract: The crystal structure of a designed phospholipid-inspired amphiphilic phosphopeptide at 0.8 Å resolution is presented. The phosphorylated β-hairpin peptide crystallizes to form a lamellar structure that is stabilized by intra- and intermolecular hydrogen bonding, including an extended β-sheet structure, as well as aromatic interactions. This first reported crystal structure of a two-tailed peptidic bilayer reveals similarities in thickness to a typical phospholipid bilayer. However, water molecules interact with the phosphopeptide in the hydrophilic region of the lattice. Additionally, solid-state NMR was used to demonstrate correlation between the crystal structure and supramolecular nanostructures. The phosphopeptide was shown to self-assemble into semi-elliptical nanosheets, and solid-state NMR provides insight into the self-assembly mechanisms. This work brings a new dimension to the structural study of biomimetic amphiphilic peptides with determination of molecular organization at the atomic level.
authors.affiliation: Department of Molecular Microbiology and Biotechnology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel.
authors.forename: Michal
authors.identifier: 0000-0001-8392-4310
authors.initials: M
authors.lastname: Pellach
authors.affiliation: Department of Molecular Microbiology and Biotechnology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel.
authors.forename: Sudipta
authors.initials: S
authors.lastname: Mondal
authors.affiliation: Division of Structural Biology, Wellcome Trust Centre for Human Genetics, University of Oxford, Roosevelt Drive, Oxford, OX3 7BN, UK.
authors.forename: Karl
authors.initials: K
authors.lastname: Harlos
authors.affiliation: NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands.
authors.forename: Deni
authors.initials: D
authors.lastname: Mance
authors.affiliation: NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Utrecht University, Padualaan 8, 3584 CH, Utrecht, The Netherlands.
authors.forename: Marc
authors.identifier: 0000-0001-7068-5613
authors.initials: M
authors.lastname: Baldus
authors.affiliation: Department of Molecular Microbiology and Biotechnology, George S. Wise Faculty of Life Sciences, Tel Aviv University, Ramat Aviv, 69978, Israel.|Department of Materials Science and Engineering, Iby and Aladar Fleischman Faculty of Engineering, Tel Aviv University, Ramat Aviv, 69978, Israel.
authors.forename: Ehud
authors.initials: E
authors.lastname: Gazit
authors.affiliation: Department of Chemical Research Support, Weizmann Institute of Science, Rehovot, 76100, Israel.
authors.forename: Linda J W
authors.initials: LJ
authors.lastname: Shimon
keywords: X-ray crystallography; membrane mimetics; peptides; self-assembly; supramolecular chemistry