A molecular mechanics conformational study of peptide T

Godjayev N., AKYÜZ S., Akverdieva G.

JOURNAL OF MOLECULAR STRUCTURE, cilt.403, sa.1-2, ss.95-110, 1997 (SCI-Expanded, Scopus) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 403 Sayı: 1-2
  • Basım Tarihi: 1997
  • Doi Numarası: 10.1016/s0022-2860(96)09410-0
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.95-110
  • İstanbul Kültür Üniversitesi Adresli: Hayır

Özet

Conformational behaviour of peptide T, a competitor of the human immune-deficiency virus in the binding to human T cells, was investigated by theoretical conformational analysis. Two types of conformations are found to be the most stable: quasi cyclic conformation, which is favourable for intensive electrostatic interaction between the charged terminal groups, and spiral conformation, which provides optimal nonvalent interaction of atoms of the polypeptide skeleton. A P-turn of the polypeptide chain was revealed on the section Thr(4)-Tyr(7).