Kinetic simulations of the folding and unfolding of triosephosphate isomerase (TIM) from yeast were conducted using a single monomer γ TIM polypeptide chain that folds as a monomer and two γ TIM chains that fold to the native dimer structure. The basic protein model used was a minimalist Gō model using the native structure to determine attractive energies in the protein chain. For each simulation type—monomer unfolding, monomer refolding, dimer unfolding, and dimer refolding—thirty simulations were conducted, successfully capturing each reaction in full. Analysis of the simulations demonstrates four main conclusions. First, all four simulation types have a similar “folding order”, i.e., they have similar structures in intermediate stages of folding between the unfolded and folded state. Second, despite this similarity, different intermediate stages are more or less populated in the four different simulations, with 1), no intermediates populated in monomer unfolding; 2), two intermediates populated with β 2 – β 4 and β 1 – β 5 regions folded in monomer refolding; 3), two intermediates populated with β 2 – β 3 and β 2 – β 4 regions folded in dimer unfolding; and 4), two intermediates populated with β 1 – β 5 and β 1 – β 5 + β 6 + β 7 + β 8 regions folded in dimer refolding. Third, simulations demonstrate that dimer binding and unbinding can occur early in the folding process before complete monomer-chain folding. Fourth, excellent agreement is found between the simulations and MPAX (misincorporation proton alkyl exchange...
Triosephosphate Isomerase Monomer Refolding Single Monomer Dimer Binding Folding Process Protein Chain Folding Of Dimers Native Structure Folding Of Monomers Intermediate Stages
AI-powered Research feed
Introducing Weekly Round-ups!Beta
Round-ups are the summaries of handpicked papers around trending topics published every week. These would enable you to scan through a collection of papers and decide if the paper is relevant to you before actually investing time into reading it.
Climate change Research Articles published between Jan 23, 2023 to Jan 29, 2023
Jan 30, 2023
Articles Included: 3
Climate change adaptation has shifted from a single-dimension to an integrative approach that aligns with vulnerability and resilience concepts. Adapt...Read More
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on “as is” basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The Copyright Law.