Ontology highlight
ABSTRACT:
SUBMITTER: Owen MC
PROVIDER: S-EPMC6154654 | biostudies-literature | 2017 Apr
REPOSITORIES: biostudies-literature
Owen Michael C MC Csizmadia Imre G IG Viskolcz Béla B Strodel Birgit B
Molecules (Basel, Switzerland) 20170419 4
Glycine (Gly) residues are particularly susceptible to hydrogen abstraction; which results in the formation of the capto-dative stabilized C<sub>α</sub>-centered Gly radical (GLR) on the protein backbone. We examined the effect of GLR formation on the structure of the Trp cage; tryptophan zipper; and the villin headpiece; three fast-folding and stable miniproteins; using all-atom (OPLS-AA) molecular dynamics simulations. Radicalization changes the conformation of the GLR residue and affects both ...[more]