Quantum molecular modeling of the elastinic tetrapeptide Val-Pro-Gly-Gly.
The free Val-Pro-Gly-Gly tetrapeptide belonging to the Proline-rich sequences of elastin has been studied both theoretically and experimentally. The molecular modelisation was carried out using AM1 and ab initio quantum computations while the conformation in solution was ascertained by circular dichroism spectroscopy performed on the synthesized tetrapeptide. Experimental and theoretical investigations lead to the conclusion that the most probable structure is constituted by a type II beta-turn.
Broch
H
H
Laboratory of Biophysics GRECFO, University of Nice-Sophia Antipolis, Nice, France.
Moulabbi
M
M
Vasilescu
D
D
Tamburro
A M
AM
D004549:Elastin / Q000737:chemistry*; D005998:Glycine; D008958:Models, Molecular; D009842:Oligopeptides / Q000737:chemistry*; D011392:Proline; D011487:Protein Conformation; D014633:Valine
D009842:Oligopeptides; C114408:valyl-prolyl-glycyl-glycine; D004549:Elastin; D011392:Proline; D014633:Valine; D005998:Glycine