Abstract:
:The role of phosphorylation in stabilizing the N-termini of alpha-helices is examined using computer simulations of model peptides. The models comprise either a phosphorylated or unphosphorylated serine at the helix N-terminus, followed by nine alanines. Monte Carlo/stochastic Dynamics simulations were performed on the model helices. The simulations revealed a distinct stabilization of the helical conformation at the N-terminus after phosphorylation. The stabilization was attributable to favorable electrostatic interactions between the phosphate and the helix backbone. However, direct helix capping by the phosphorylated sidechain was not observed. The results of the calculations are consistent with experimental evidence on the stabilization of helices by phosphates and other anions.
journal_name
Biopolymersjournal_title
Biopolymersauthors
Smart JL,McCammon JAdoi
10.1002/(SICI)1097-0282(199903)49:3<225::AID-BIP4>subject
Has Abstractpub_date
1999-03-01 00:00:00pages
225-33issue
3eissn
0006-3525issn
1097-0282pii
10.1002/(SICI)1097-0282(199903)49:3<225::AID-BIP4>journal_volume
49pub_type
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