title: Antimicrobial peptide protegrin-3 adopt an antiparallel dimer in the presence of DPC micelles: a high-resolution NMR study.
abstract: A tendency to dimerize in the presence of lipids was found for the protegrin. The dimer formation by the protegrin-1 (PG-1) is the first step for further oligomeric membrane pore formation. Generally there are two distinct model of PG-1 dimerization in either a parallel or antiparallel β-sheet. But despite the wealth of data available today, protegrin dimer structure and pore formation is still not completely understood. In order to investigate a more detailed dimerization process of PG-1 and if it will be the same for another type of protegrins, in this work we used a high-resolution NMR spectroscopy for structure determination of protegrin-3 (RGGGL-CYCRR-RFCVC-VGR) in the presence of perdeuterated DPC micelles and demonstrate that PG-3 forms an antiparallel NCCN dimer with a possible association of these dimers. This structural study complements previously published solution, solid state and computational studies of PG-1 in various environments and validate the potential of mean force simulations of PG-1 dimers and association of dimers to form octameric or decameric β-barrels.
authors: NMR Laboratory, Institute of Physics, Kazan Federal University, Kremlevskaya, 18, Kazan, 420008, Russian Federation, k.usachev@kpfu.ru.
authors: K S
authors: KS
authors: Usachev
authors: S V
authors: SV
authors: Efimov
authors: O A
authors: OA
authors: Kolosova
authors: E A
authors: EA
authors: Klochkova
authors: A V
authors: AV
authors: Aganov
authors: V V
authors: VV
authors: Klochkov
mesh_terms: D000890:Anti-Infective Agents / Q000737:chemistry*; D023181:Antimicrobial Cationic Peptides / Q000737:chemistry*; D003198:Computer Simulation; D019281:Dimerization; D008823:Micelles; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011487:Protein Conformation
chemical_list: D000890:Anti-Infective Agents; D023181:Antimicrobial Cationic Peptides; D008823:Micelles; C094880:protegrin-1; C094881:protegrin-3