Solution structure of lactam analogue (DDap) of gp41 600-612 loop of HIV
Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein.
ATOM OD2 OF ASP 5 IS MISSING DUE TO THE SIDE-CHAIN LINK BETWEEN ASP 5 AND DNP 11
DDap: (ACE)IWGDSGKLI(DNP)TTA ANALOGUE OF HIV GP41
1J8N contains a beta3-SER analogue peptide
1J8Z contains a beta3-Cys analogue peptide
1J9V contains the DabD lactam analogue peptide
1JAA contains the DapE lactam analogue peptide.
1JAR contains the DDab lactam analogue peptide
the parent peptide (IWGCSGKLICTTA) occurs naturally in HIV gp41 glycoprotein.
classical 2D homonuclear NMR techniques were used. Different NOESY experiments with different mixing times from 80ms to 800ms were recorded in order to determine best conditions without spin diffusion.
50 initial random structures were generated usin DYANA software, followed by 500ps restrained minimization, 35ps MD and 750ps conjugated gradient EM using DISCOVER module of MSI software.
torsion angles dynamics, molecular dynamics, energy minimization.
Bartels C., Billeter M., Guentert P. and Wuethrich K. (1995) J. Biomol. NMR, 5, 1-10
Guentert P., Mumenthaler C.and Wuethrich K. (1997) J. Mol. Biol. 273, 283-298
lactam bond, cyclic peptide, HIV gp41, peptidomimetics., Viral protein