Tug-of-War between Internal and External Frictions and Viscosity Dependence of Rate in Biological Reactions.


Journal

Physical review letters
ISSN: 1079-7114
Titre abrégé: Phys Rev Lett
Pays: United States
ID NLM: 0401141

Informations de publication

Date de publication:
11 Mar 2022
Historique:
received: 21 07 2021
revised: 13 12 2021
accepted: 11 02 2022
entrez: 25 3 2022
pubmed: 26 3 2022
medline: 1 4 2022
Statut: ppublish

Résumé

The role of water in biological processes is studied in three reactions, namely, the Fe-CO bond rupture in myoglobin, GB1 unfolding, and insulin dimer dissociation. We compute both internal and external components of friction on relevant reaction coordinates. In all of the three cases, the cross-correlation between forces from protein and water is found to be large and negative that serves to reduce the total friction significantly, increase the calculated reaction rate, and weaken solvent viscosity dependence. The computed force spectrum reveals bimodal 1/f noise, suggesting the use of a non-Markovian rate theory.

Identifiants

pubmed: 35333093
doi: 10.1103/PhysRevLett.128.108101
doi:

Substances chimiques

Myoglobin 0
Solvents 0
Water 059QF0KO0R

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

108101

Auteurs

Saumyak Mukherjee (S)

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.

Sayantan Mondal (S)

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.

Subhajit Acharya (S)

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.

Biman Bagchi (B)

Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru 560012, Karnataka, India.

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Classifications MeSH