The Study of Solution Conformation of Allatostatins by 2-d Nmr and Molecular Modeling.
From: Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100094, PR China.
Biochimica et biophysica acta
- Publish Date: Jan 2006
- ISSN: 0006-3002
- Volume: 1764
- Issue: 1
- Pages: 70-5
- Medium: Print
- Language: English
- Citation (JAMA): Kai Zhen-peng, Ling Yun, Liu Wen-jun, et al. The Study of Solution Conformation of Allatostatins by 2-d Nmr and Molecular Modeling.. Biochim. Biophys. Acta Jan 2006;1764:70-5
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.
Mesh Headings (Keywords): Amino Acid Sequence, Animals, Cockroaches, Insect Hormones, Models, Molecular, Neuropeptides, Nuclear Magnetic Resonance, Biomolecular, Protein Conformation, Solutions, Thermodynamics
Check for Full Text / PubMed Unique Identifier (PMID): 16303339
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