当前位置: X-MOL 学术Biologia › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
In silico tertiary structure prediction and evolutionary analysis of two DNA-binding proteins (DBP-1 and DBP-2) from Hyposidra talaca nucleopolyhedrovirus (HytaNPV)
Biologia ( IF 1.5 ) Pub Date : 2021-01-19 , DOI: 10.2478/s11756-020-00665-x
Bhabesh Deka , Chittaranjan Baruah , Manash Barthakur

Hyposidra talaca is a vicious pest of tea plants in the Eastern Himalayan’s Darjeeling foothills and NE India. The infestation of this pest leads to crop loss, as early instars prefer to feed the young harvestable leaves and late instars feed the matured leaves, which leads to loss of photosynthetic capacity of the entire tea bush. Among the few accessible methods to control H. talaca is the baculovirus H. talaca nucleopolyhedrovirus (HytaNPV). DNA-binding protein (DBP) plays a significant role in HytaNPV during viral replication and transcription. The present study attempted to predict the structure and the functional analysis of two crucial DNA-binding proteins (DBP-1 and DBP-2) in the absence of experimental structures. Analysis of sequence, prediction of structure, functional characterization, and evolutionary analysis based on UniProtKB studied the amino acid sequences of DBP-1 and DBP-2 proteins. Modeling of these two proteins was presented using ab-initio modeling. QMEANDisCo 4.0.0 global and local per-residue quality estimates verified the structure as high quality. Phylogenetic analysis of both HytaNPV DBP-1 and DBP-2 proteins revealed a close evolutionary relationship with Buzura suppressaria nucleopolyhedrovirus. Tunnel analysis revealed multiple tunnels in DBP-1 (six) and DBP-2 (eleven), indicating a large number of transport pathways for small ligands that influence their reactivity. The theoretical structures and statistical verifications were successfully deposited in the Model Archive. They will be useful for advanced computational analysis of each protein’s interactions for detailed functional analysis and understanding of viral pathogenesis in the absence of a complete experimental structure.



中文翻译:

在计算机上的三级结构预测和进化分析的两个DNA结合蛋白(DBP-1和DBP-2)的Hyposidra talaca核多角体病毒(HytaNPV)

距骨hyposidra talaca是喜马拉雅东部大吉岭山麓和印度东北部茶树的恶性害虫。这种害虫的侵染会导致作物损失,因为早熟的幼虫喜欢喂食可收获的幼叶,而晚熟的幼虫则喂食成熟的叶片,这会导致整个茶树的光合能力丧失。杆状病毒H. talaca是少数几种可控制的tal。H. talaca方法核多角体病毒(HytaNPV)。DNA结合蛋白(DBP)在病毒复制和转录过程中在HytaNPV中起重要作用。本研究试图在没有实验结构的情况下预测两种关键的DNA结合蛋白(DBP-1和DBP-2)的结构和功能分析。基于UniProtKB的序列分析,结构预测,功能表征和进化分析研究了DBP-1和DBP-2蛋白的氨基酸序列。这两种蛋白质的建模是使用从头开始建模的。QMEANDisCo 4.0.0全球和本地每个残渣的质量估计值验证了该结构的高质量。对HytaNPV DBP-1和DBP-2蛋白的系统进化分析表明,与Buzura抑制菌有密切的进化关系核多角体病毒。隧道分析显示,DBP-1(六个)和DBP-2(十一个)中有多个隧道,这表明影响其反应性的小配体具有大量运输途径。理论结构和统计验证已成功保存在模型档案中。它们将用于每种蛋白质相互作用的高级计算分析,以便在没有完整实验结构的情况下进行详细的功能分析和了解病毒的发病机理。

更新日期:2021-01-19
down
wechat
bug