摘要
氧化亚铁钩端螺旋菌的nifS基因可能在它的固氮酶成熟中发挥重要的作用.为了考察由这个基因编码的蛋白质,建立了一个关于它的可靠的完整三维分子结构.建立的结构被进一步进行绑定位点搜索,跟辅因子磷酸吡哆醛(PLP)和底物半胱氨酸进行柔性分子对接,并据此识别其关键残基.在跟半胱氨酸对接中,半胱氨酸中的氨基非常靠近His102,Lys204和PLP,半胱氨酸跟它们的相互作用能也很大,这些情况跟那些来自其他生物的固氮供硫蛋白(NifS)类似物的实验事实一致.根据这些结果,这个基因编码NifS;底物半胱氨酸能被有效地募集到激活位点.
The gene nifS from Leptospirillum ferrooxidans may play an important role in nitrogenase maturation in this organism. To investigate the protein encoded by this gene, a reliable three-dimensional molecular structure of it was built. The obtained structure was further used to search binding sites, carry out the flexible docking with cofactor pyridoxal 5＇-phosphate （PLP） and substrate cysteine, and identify its key residues. The docking results of cysteine show the amino group in cysteine is very near His106, Lys204 and PLP, the interaction energies for cyste- ine with them are very big, which are in line with the experimental facts of NifSs from other sources. According to these results, this gene encodes NifS protein; the substrate cysteine can be effectively recruited into the active site.
出处
《湖南师范大学自然科学学报》
CAS
北大核心
2008年第3期98-101,共4页
Journal of Natural Science of Hunan Normal University
基金
国家基础研究资助项目(2004CB619201)
国家自然科学基金资助项目(50321402)
