Research of Xylanase Thermostability Based on Residue-Water Interaction Network

doi:10.3969/j.issn.1673-1689.2019.09.011

Home > Archive>Volume 38, Issue 9, 2019 >78-84. DOI:10.3969/j.issn.1673-1689.2019.09.011

Research of Xylanase Thermostability Based on Residue-Water Interaction Network
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                        10.3969/j.issn.1673-1689.2019.09.011
                    
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Water plays an important role in protein folding，protein-protein interaction，molecular recognition，protein dynamics，thermal stability and so on. In this paper，Voronoi algorithm is used to identify waters interacting with residues of xylanase. Take waters and all residues as nodes，and take residue-residue interactions and residue-water interactions as edges，we constructed residue-water interaction networks. After calculating network topology parameters such as the network node degree，clustering coefficient，closeness centrality and node centrality，we found that these parameters were positively correlated with the thermal stability of xylanase. The number of hub water with degree 2 in thermophilic xylanase network is much higher than in mesophilic xylanase network，which means water is involved in more interaction in thermostable xylanase. Then take hub water with degree 2 as clustering center and set residue degree≥18 as threshold degree，we modularized the networks. Analyzing the sub-networks obtained from clustering the whole network，we found hub waters and hub residues are usually clustered into a group. That means residue-water interaction networks of xylanase exist "rich-club phenomenon". These results indicate that water is not only involved in the residue-water interaction，but also strengthen the residue-residue interaction，which is more helpful to the formation of a stable structure to resist high temperature.

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RAO Rong, DING Yanrui. Research of Xylanase Thermostability Based on Residue-Water Interaction Network[J]. Journal of Food Science and Biotechnology,2019,38(9):78-84.

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