The spatial structure of ACTH-(5-7)-PGP molecule has been investigated using theoretical conformational analysis method. Amino acid sequence of the N-terminal tripeptide fragment of Glu-His-Phe-Pro-Gly-Pro molecule conforms to the fragment 5-7 of ACTH hormone. Spatial structure of the molecule has been investigated by method of theoretical conformational analysis. Calculations of conformational states of this molecule are carried out regarding nonvalent, electrostatic and torsional interactions and the energy of hydrogen bondsl. The spatial structure of the Glu-His-Phe-Pro-Gly- Pro molecule was estimated on the low-energy conformations of amino acid residues. It is shown that the spatial structure of hexapeptide molecule can be presented by 8 low-energy forms of the main chain. The low-energy conformations of this molecule, the values of dihedral angles of the backbone and side chains of the amino acid residues were founded and the energies of intra- and inter-residual interactions were determined.
-(5-7), theoretical conformational analysis, spatial structure, conformation
1. Shevchenko K.V., Dulov S.A., Andreeva L.A., Nagaev I.Yu., Shevchenko V.P., Radilov A.S., Myasoedov N.F. Ustoychivost' His-Phe-Arg-Trp-Pro-Gly-Pro k deystviyu leycinaminopeptidazy, karboksipeptidazy Y i fermentnym sistemam nazal'noy slizi, krovi i plazmy krovi krys. Bioorganicheskaya himiya, 2016, t. 42, № 2, s. 171-181.
2. IUPAC-IUB, Quantiby, Units and Sybbols in Physical Chemistry. Blackwell Scientific Publications, 1998, vol. 39.
3. Akhmedov N.A., Tagiyev Z.H., Hasanov E.M., Akverdieva G.A.Theoretical conformational analisis of the bovine adrenal medulla 12 residue peptide molecule. J.Molecular Structure, 2003, vol. 646, pp. 75-80.
4. Akhmedov N.A., Ismailova L.I., Agayeva L.N., Gocayev N.M. The spatial structure of the cardio active peptides. Peptid and Protein Research, 2010, vol. 11, pp. 87-93.
5. Gadzhieva Sh.N., Ahmedov N.A., Masimov E.A, Godzhaev N.M. Prostranstvennaya struktura molekuly Thr-Pro- Ala-Glu-Asp-Phe-Met-Arg-Phe-NH2. Biofizika, 2013, t. 58, vyp. 4, c. 587-590. [Gadjieva Sh.N., Akhmedov N.A., Masimov E.A., Godjaev N.M. Spatial Structure of Thr-Pro-Ala-Glu-Asp-Phe-Met-Arg-Phe-NH2. Biophysics, 2013, vol. 58, pp. 587-590 (In Russ.)]
