title: High-field NMR studies of molecular recognition and structure-function relationships in antimicrobial piscidins at the water-lipid bilayer interface.
abstract: High magnetic field solid-state NMR was performed on amphipathic cationic antimicrobial peptides from fish to characterize their secondary structure and orientation in hydrated phospholipid bilayers. High-resolution distance and orientational restraints on 13C- and 15N-labeled amidated piscidins 1 and 3 provided site-specific information establishing alpha-helicity and an orientation parallel to the membrane surface. Few membrane-bound natural peptides with this topology have been structurally studied at high resolution in the presence of hydrated lipid bilayers. This orientation was foreseen since the partitioning of amphipathic cationic antimicrobial peptides at the water-bilayer interface allows for favorable peptide-lipid interactions, and it may be related to the mechanism of action. The enhanced resolution obtained at 900 MHz evidences a determinant advantage of ultra-high-field NMR for the structural determination of multiple-labeled peptides and proteins.
authors.affiliation: Center for Interdisciplinary Magnetic Resonance, National High Magnetic Field Laboratory, 1800 East Paul Dirac Drive, Tallahassee, Florida 32310, USA.
authors.forename: Eduard Y
authors.initials: EY
authors.lastname: Chekmenev
authors.forename: Shiela M
authors.initials: SM
authors.lastname: Jones
authors.forename: Yelena N
authors.initials: YN
authors.lastname: Nikolayeva
authors.forename: Breanna S
authors.initials: BS
authors.lastname: Vollmar
authors.forename: Tim J
authors.initials: TJ
authors.lastname: Wagner
authors.forename: Peter L
authors.initials: PL
authors.lastname: Gor'kov
authors.forename: William W
authors.initials: WW
authors.lastname: Brey
authors.forename: McKenna N
authors.initials: MN
authors.lastname: Manion
authors.forename: Ken C
authors.initials: KC
authors.lastname: Daugherty
authors.forename: Myriam
authors.initials: M
authors.lastname: Cotten
mesh_terms: D000890:Anti-Infective Agents / Q000737:chemistry* / Q000494:pharmacology; D023181:Antimicrobial Cationic Peptides / Q000737:chemistry* / Q000494:pharmacology*; D029941:Fish Proteins / Q000737:chemistry* / Q000494:pharmacology*; D008051:Lipid Bilayers; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D013329:Structure-Activity Relationship; D014867:Water / Q000737:chemistry*
chemical_list: D000890:Anti-Infective Agents; D023181:Antimicrobial Cationic Peptides; D029941:Fish Proteins; D008051:Lipid Bilayers; C449802:moronecidin protein, Morone saxatilis; D014867:Water