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| Homology Modeling and Structure Analysis of SoxYZ: A Carrier of Sulfur Compounds from Thiobacillus denitrificans |
| ZHANG Chen-chen, MENG Zhi-zhong, LU Yuan-fang, CHEN Xin, LI Shan |
| School of Bioscience and Bioengineering, South China University of Technology, Guangzhou 510006, China |
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Abstract Sox system of Thiobacillus denitrificans plays a vital role in the metabolism of sulfur compounds, SoxYZ coding by the sulfur oxidizing gene cluster (sox) is known to be a sulfur covalently binding protein, which binds sulfur compounds to the other enzymes. The structure of SoxYZ heterodimer, the carrier of sulfur compounds, is constructed by using homology modeling and is proved to be reliable. Analysis of protein interactions find that the Solvent Accessible Surface(SAS) of SoxYZ is 10 922.9Å2, hydrophobicity is 50.85%; the interface between subunits SoxY and SoxZ contains a total of 12 hydrogen bonds and a pi bond which maintain the stability of the three-dimensional structure; the electrostatic potential of SoxYZ surface is obviously complementary, the VDW interaction energy and electrostatic interaction energy of residues at the interface is －80.925 13kcal/mol and －323.856 57kcal/mol, respectively which showed that the electrostatic interaction energy was the main driving force to form the heterodimer and the residues Thr28, Arg31, Lys32, Ser64, Gly65, Val66, Ser67 of SoxZ played an important role in the stability of active site of SoxY.
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Received: 15 January 2015
Published: 25 July 2015
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