Structure of the epitope-fragment 579 to 601-in the GP41 transmembrane domain of HIV-1

Authors
Desai, P Coutinho, E Srivastava, S Saran, A
Citation
P. Desai et al., Structure of the epitope-fragment 579 to 601-in the GP41 transmembrane domain of HIV-1, I J CHEM A, 39(1-3), 2000, pp. 274-280
Citations number
27
Categorie Soggetti
Chemistry
Journal title
INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY
ISSN journal
03764710 → ACNP
Volume
39
Issue
1-3
Year of publication
2000
Pages
274 - 280
Database
ISI
SICI code
0376-4710(200001/03)39:1-3<274:SOTE5T>2.0.ZU;2-K
Abstract
The conformation of the epitope - fragment 579 to 601 - in the gp41 transme mbrane domain of HIV-1 has been studied by 2D-NMR and theoretical methods. Molecular dynamics simulations using a total of 80 nOe's as distance restra ints and 22 dihedral restraints have been used to determine the solution st ructure. The peptide adopts a beta-pleated sheet in DMSO. Full relaxation m atrix analysis carried out on the simulated structures gives an R-factor of 0.46.