title: Solution structure of PMP-D2, a 35-residue peptide isolated from the insect Locusta migratoria.
abstract: The three-dimensional solution structure of PMP-D2, a 35 amino acid peptide isolated from the insect Locusta migratoria, has been determined from two-dimensional 1H NMR spectroscopy data. The structure calculations were performed from 222 NOE-derived interproton distances and 11 dihedral angles calculated from the JHN-H alpha coupling constants, using either a combination of distance geometry and restrained simulated annealing or by restrained simulated annealing alone. PMP-D2 contains three disulfide bridges that have been assigned from NMR data and structure calculations and independently confirmed using chemical and enzymatic methods. The core region of PMP-D2 adopts a compact globular fold, stabilized by hydrophobic interactions, which consists of a short three-stranded antiparallel beta-sheet involving residues 8-11, 15-19, and 25-29. Back-calculation of the NOESY spectra was used to validate the final structures. Analysis of the CD spectra of PMP-D2 under various conditions of ionic strength and in the presence of organic solvents demonstrates the high stability of this molecule. PMP-D2 was recently shown to inhibit Ca2+ currents. This activity is discussed based on the comparison of PMP-D2 three-dimensional structure with the recently established three-dimensional structure of the Ca2+ channel blocker omega-conotoxin GVIA.
authors: Ecole Supérieure de Biotechnologie de Strasbourg, UPR 9003 du CNRS, Illkirch-Graffenstaden, France.
authors: G
authors: G
authors: Mer
authors: C
authors: C
authors: Kellenberger
authors: P
authors: P
authors: Koehl
authors: R
authors: R
authors: Stote
authors: O
authors: O
authors: Sorokine
authors: A
authors: A
authors: Van Dorsselaer
authors: B
authors: B
authors: Luu
authors: H
authors: H
authors: Hietter
authors: J F
authors: JF
authors: Lefèvre
mesh_terms: D000595:Amino Acid Sequence; D000818:Animals; D002942:Circular Dichroism; D047169:Cyclotides; D004220:Disulfides; D006110:Grasshoppers / Q000737:chemistry*; D006860:Hydrogen Bonding; D007301:Insect Hormones / Q000737:chemistry*; D019476:Insect Proteins; D009682:Magnetic Resonance Spectroscopy; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009479:Neuropeptides / Q000737:chemistry*; D017433:Protein Structure, Secondary; D017434:Protein Structure, Tertiary
chemical_list: D047169:Cyclotides; D004220:Disulfides; D007301:Insect Hormones; D019476:Insect Proteins; D009479:Neuropeptides; C072986:PMP-D2 peptide, insect