Computer aided protein engineering to enhance the thermo-stability of CXCR1- T4 lysozyme complex.

08:00 EDT 29th March 2019 | BioPortfolio

Summary of "Computer aided protein engineering to enhance the thermo-stability of CXCR1- T4 lysozyme complex."

CXCR1, a member in G-protein coupled receptor (GPCR) family, binds to chemokine interleukin-8 (IL-8) specifically and transduces signals to mediate immune and inflammatory responses. Despite the importance of CXCR1, high-resolution structure determination is hindered by the challenges in crystallization. It has been shown that properly designed mutants with enhanced thermostability, together with fusion partner proteins, can be useful to form crystals for GPCR proteins. In this study, in silico protein design was carried out by using homology modeling and molecular dynamics simulations. To validate the computational modeling results, the thermostability of several mutants and the wild type were measured experimentally. Both computational results and experimental data suggest that the mutant L126W has a significant improvement in the thermostability. This study demonstrated that in silico design can guide protein engineering and potentially facilitate protein crystallography research.


Journal Details

This article was published in the following journal.

Name: Scientific reports
ISSN: 2045-2322
Pages: 5317


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Medical and Biotech [MESH] Definitions

The use of computers for designing and/or manufacturing of anything, including drugs, surgical procedures, orthotics, and prosthetics.

Procedures by which protein structure and function are changed or created in vitro by altering existing or synthesizing new structural genes that direct the synthesis of proteins with sought-after properties. Such procedures may include the design of MOLECULAR MODELS of proteins using COMPUTER GRAPHICS or other molecular modeling techniques; site-specific mutagenesis (MUTAGENESIS, SITE-SPECIFIC) of existing genes; and DIRECTED MOLECULAR EVOLUTION techniques to create new genes.

Methods and techniques used to modify or select cells and develop conditions for growing cells for biosynthetic production of molecules (METABOLIC ENGINEERING), for generation of tissue structures and organs in vitro (TISSUE ENGINEERING), or for other BIOENGINEERING research objectives.

The ability of a protein to retain its structural conformation or its activity when subjected to physical or chemical manipulations.

Application of principles and practices of engineering science to the transformation, design, and manufacture of substances on an industrial scale.

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