Energetics of Protein Thermodynamic Cooperativity: Contributions of Local and Nonlocal Interactions

Physics – Condensed Matter – Statistical Mechanics

Scientific paper

Rate now

  [ 0.00 ] – not rated yet Voters 0   Comments 0

Details

Additional info

23 pages, 8 postscript figures (will appear in Polymer)

Type

Scientific paper

Abstract

The respective roles of local and nonlocal interactions in the thermodynamic cooperativity of proteins are investigated using continuum (off-lattice) native-centric G\=o-like models with a coarse-grained C$_\alpha$ chain representation. We study a series of models in which the (local) bond- and torsion-angle terms have different strengths relative to the (nonlocal) pairwise contact energy terms. Conformational distributions in these models are sampled by Langevin dynamics. Thermodynamic cooperativity is characterized by the experimental criteria requiring the van't Hoff to calorimetric enthalpy ratio $\Delta H_{\rm vH}/\Delta H_{\rm cal}\approx 1$ (the calorimetric criterion), as well as a two-state-like variation of the average radius of gyration upon denaturation. We find that both local and nonlocal interactions are critical for thermodynamic cooperativity. Chain models with either much weakened local conformational propensities or much weakened favorable nonlocal interactions are significantly less cooperative than chain models with both strong local propensities and strong favorable nonlocal interactions. These findings are compared with results from a recently proposed lattice model with a local-nonlocal coupling mechanism; their relationship with experimental measurements of protein cooperativity and chain compactness is discussed.

No associations

LandOfFree

Say what you really think

Search LandOfFree.com for scientists and scientific papers. Rate them and share your experience with other people.

Rating

Energetics of Protein Thermodynamic Cooperativity: Contributions of Local and Nonlocal Interactions does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Energetics of Protein Thermodynamic Cooperativity: Contributions of Local and Nonlocal Interactions, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Energetics of Protein Thermodynamic Cooperativity: Contributions of Local and Nonlocal Interactions will most certainly appreciate the feedback.

Rate now

     

Profile ID: LFWR-SCP-O-508805

  Search
All data on this website is collected from public sources. Our data reflects the most accurate information available at the time of publication.