STRUCTURAL-FUNCTIONAL ORGANIZATION OF BACTENECIN MOLECULE
Authors:
1.
Baku State University
Type:
Article
Pages:
from 212
to 214
Status:
Published
Received:
20.06.2017
Accepted:
20.06.2017
Published:
25.06.2017
Subject area:
UDK 577 Материальные основы жизни. Биохимия. Молекулярная биология.Биофизика
Language:
Russian
Keywords:
bactenecin, semi-empirical method of atom-atom potentials, conformational analysis
Abstract (English):
On a classical basis, using a semi-empirical method of atom-atom potentials, an a priori conformational analysis of the molecule of bactenecin is carried out. Conformational analysis was carried out on the basis of the amino acid sequence and the standard valence structure of amino acids using a fragmentary approach for calculating the optimal spatial structures of oligopeptides and proteins. Conformational analysis of overlapping four hexapeptide fragments and the entire molecule of bactenecin showed that the low-energy conformations are achieved due to consistent stabilizing non-valent interactions between all the residues. Low-energy states of the linear sequence of bactenecin can be grouped in several forms of the main chain in which the Cys 3 and Cys 11 residues are located close to each other and their side chains have a mutual orientation which is necessary for the formation of the disulfide bond.
On a classical basis, using a semi-empirical method of atom-atom potentials, an a priori conformational analysis of the molecule of bactenecin is carried out. Conformational analysis was carried out on the basis of the amino acid sequence and the standard valence structure of amino acids using a fragmentary approach for calculating the optimal spatial structures of oligopeptides and proteins. Conformational analysis of overlapping four hexapeptide fragments and the entire molecule of bactenecin showed that the low-energy conformations are achieved due to consistent stabilizing non-valent interactions between all the residues. Low-energy states of the linear sequence of bactenecin can be grouped in several forms of the main chain in which the Cys 3 and Cys 11 residues are located close to each other and their side chains have a mutual orientation which is necessary for the formation of the disulfide bond.
Keywords:
bactenecin, semi-empirical method of atom-atom potentials, conformational analysis
bactenecin, semi-empirical method of atom-atom potentials, conformational analysis
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