Genes Identification, Molecular Docking and Dynamics Simulation Analysis of Laccases from Amylostereum areolatum Provides Molecular Basis of Laccase Bound to Lignin.
Genes Identification, Molecular Docking and Dynamics Simulation Analysis of Laccases from Amylostereum areolatum Provides Molecular Basis of Laccase Bound to Lignin.
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DOI：
10.3390/ijms21228845
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发表时间：
2020-11-22
影响因子：
5.6
通讯作者：
Luo Y
中科院分区：
文献类型：
--
作者：
Fu N;Li J;Wang M;Ren L;Luo Y
斑叶扁豆和木蜂Sirex noctilo之间存在着一种特殊的互惠关系。这种真菌消化寄主松树中的木质素，为成长中的木蜂幼虫提供必要的营养。然而，这种共生的功能特性还没有得到很好的描述。在本研究中，我们鉴定、克隆和鉴定了14个斑驳木霉漆酶基因。这些基因编码508到529个氨基酸的蛋白质，并包含三个典型的铜氧化物区，这是赋予漆酶活性所必需的。此外，我们还对漆酶蛋白与木质素化合物(单体、二聚体、三聚体和四聚体)形成的复合体进行了分子对接和动力学模拟。AaLac2、AaLac3、AaLac6、AaLac8和AaLac10与所测试的所有木质素模型化合物都具有较低的结合能，其中三种化合物在与这些化合物结合时能够保持稳定。在这些复合体中，常见的氨基酸残基有ALA、Gln、Leu、Phe、PRO和SER。我们的研究揭示了斑茅漆酶与木质素相互作用的分子基础，这对于了解该真菌如何为夜蛾提供营养是必不可少的。这些发现还可能通过设计降低木质素降解效率的酶突变体来为夜蛾的防治提供指导。
An obligate mutualistic relationship exists between the fungus Amylostereum areolatum and woodwasp Sirex noctilio. The fungus digests lignin in the host pine, providing essential nutrients for the growing woodwasp larvae. However, the functional properties of this symbiosis are poorly described. In this study, we identified, cloned, and characterized 14 laccase genes from A. areolatum. These genes encoded proteins of 508 to 529 amino acids and contained three typical copper-oxidase domains, necessary to confer laccase activity. Besides, we performed molecular docking and dynamics simulation of the laccase proteins in complex with lignin compounds (monomers, dimers, trimers, and tetramers). AaLac2, AaLac3, AaLac6, AaLac8, and AaLac10 were found that had low binding energies with all lignin model compounds tested and three of them could maintain stability when binding to these compounds. Among these complexes, amino acid residues ALA, GLN, LEU, PHE, PRO, and SER were commonly present. Our study reveals the molecular basis of A. areolatum laccases interacting with lignin, which is essential for understanding how the fungus provides nutrients to S. noctilio. These findings might also provide guidance for the control of S. noctilio by informing the design of enzyme mutants that could reduce the efficiency of lignin degradation.
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影响因子：
4.6
作者：
Lee MK;Lee KH;Yoo SH;Park CY
通讯作者：
Park CY
DOI：
10.1071/bi9690915
发表时间：
1969-01-01
期刊：
AUSTRALIAN JOURNAL OF BIOLOGICAL SCIENCES
影响因子：
--
作者：
COUTTS, MP
通讯作者：
COUTTS, MP
影响因子：
4.4
作者：
Eggert, C;Temp, U;Eriksson, KEL
通讯作者：
Eriksson, KEL
影响因子：
14.9
作者：
Ferre, F.;Clote, P.
通讯作者：
Clote, P.
模因套件：用于发现和搜索的工具。
影响因子：
14.9
作者：
Bailey TL;Boden M;Buske FA;Frith M;Grant CE;Clementi L;Ren J;Li WW;Noble WS
通讯作者：
Noble WS