Computational Study of Differences between Antifreeze Activity of Type-III Antifreeze Protein from Ocean Pout and Its Mutant.

doi:10.1021/acs.langmuir.0c00065

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Article

Computational Study of Differences between Antifreeze Activity of Type-III Antifreeze Protein from Ocean Pout and Its Mutant.

Langmuir : the ACS journal of surfaces and colloids - 10 Mar 2020

Kumari Surbhi, Muthachikavil Aswin V, Tiwari Jyoti Kumar, Punnathanam Sudeep N

Abstract excerpt

The antifreeze activity of a type-III antifreeze protein (AFP) expressed in ocean pout (Zoarces americanus) is compared with that of a specific mutant (T18N) using all-atom molecular dynamics simulations. The antifreeze activity of the mutant is only 10% of the wild-type AFP. The results from this simulation study revealed the following insights into the mechanism of antifreeze action by type-III AFPs. The AFP...

Topics

Adsorption
Animals
Antifreeze Proteins
Fish Proteins
Hydrogen Bonding
Hydrophobic and Hydrophilic Interactions
Molecular Dynamics Simulation
Mutation
Perciformes
Protein Binding
Water

Source

Open in PubMed

Identifiers

PMID: 32069407
DOI: 10.1021/acs.langmuir.0c00065

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