The study of solution conformation of allatostatins by 2-D NMR and molecular modeling

Biochim Biophys Acta. 2006 Jan;1764(1):70-5. doi: 10.1016/j.bbapap.2005.10.010. Epub 2005 Nov 4.

Abstract

More than 70 allatostatins have been isolated from various insects and there is interest in the determination of their active conformation. We have synthesized Dippu-AST 1 (originally isolated from the cockroach Blattella germanica) and studied its conformation in solution by 2-D NMR and molecular modeling. Dippu-AST 1 belongs to the cockroach-type ASTs that have Y/FXFGL-NH(2) as the common C-terminal sequence. We found that Dippu-AST 1 forms a type I' beta-turn conformation in DMSO. We also studied the conformations of Dippu-AST 1 and six cockroach-type allatostatins in water using the molecular dynamics method. When the X amino acid in the consensus sequence Y/FXFGL-NH(2) is Ala or Ser, the allatostatin can form a typical type II beta-turn. If the X is Asp or Asn whose side chain contains a carbonyl, the allatostatin can form a type I, I' or IV beta-turn conformation; if the X is Gly, a closer gamma-turn is adopted. Our study indicates that the turn conformation is ubiquitous in cockroach-type allatostatins.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Animals
  • Cockroaches / chemistry
  • Insect Hormones / chemistry
  • Models, Molecular
  • Neuropeptides / chemistry*
  • Nuclear Magnetic Resonance, Biomolecular
  • Protein Conformation
  • Lösungen
  • Thermodynamics

Substances

  • Insect Hormones
  • Neuropeptides
  • Lösungen
  • allatostatin
  • allatostatin 1