Additional file 1 of Comparative analysis of Rosetta stone events in Klebsiella pneumoniae and Streptococcus pneumoniae for drug target identification
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Additional file 1: Supplementary table 1. Proteins containing common domains and their domain repertoir. These proteins of SPD39 contain one or more of the common domains between the two microbes. Their tethering patterns with other domains account for the domain versatility, while the number of occurence accounts for abundance. Supplementary table 2. Proteins containing common domains and their domain repertoir. These proteins of KPNIH11 contain one or more of the common domains between the two microbes. Their tethering patterns with other domains account for the domain versatility, while the number of occurence accounts for abundance. Supplementary table 3. Protein annotation using PSI-BAST. These proteins of SPD39 have been annotated using PSI-BLAST and checked for homology with human proteome using DELTA-BLAST. All the proteins except ABJ54307 and ABJ55037 were found non-homologous to human proteomemaking them ideal drug targets. Supplementary table 4. Protein annotation using PSI-BLAST. These proteins of KPNIH11 have been anntated using PSI-BLAST and checked for homology with human proteome using DELTA-BLAST. All the proteins were found non-homologous to human proteomemaking them ideal drug targets. Supplementary table 5. Virtual screening results of TCM databse ligands. This list of ligands showed affinity towars EJJ83173 protein during docking. These are Traditional Chineses Medicine that can be targeted to interfere protein function of EJJ83173. Supplementary table 6. Virtual screening results of ZINC databse ligands. This list of ligands showed affinity towars EJJ83173 protein during docking. These are commercially available drugs that can be targeted to interfere protein function of EJJ83173.
附加文件1:
补充表1 含保守结构域的蛋白质及其结构域组成。SPD39的此类蛋白质包含两种微生物共有的一种或多种保守结构域,其与其他结构域的连接模式决定了结构域的多功能性,而结构域的出现频次则反映了其丰度。
补充表2 含保守结构域的蛋白质及其结构域组成。KPNIH11的此类蛋白质包含两种微生物共有的一种或多种保守结构域,其与其他结构域的连接模式决定了结构域的多功能性,而结构域的出现频次则反映了其丰度。
补充表3 基于PSI-BLAST的蛋白质注释。SPD39的此类蛋白质已通过PSI-BLAST进行注释,并通过DELTA-BLAST与人类蛋白质组进行同源性比对验证;除ABJ54307与ABJ55037外,其余蛋白质均未发现与人类蛋白质组存在同源性,因此可作为理想的药物靶点。
补充表4 基于PSI-BLAST的蛋白质注释。KPNIH11的此类蛋白质已通过PSI-BLAST进行注释,并通过DELTA-BLAST与人类蛋白质组进行同源性比对验证;所有蛋白质均未发现与人类蛋白质组存在同源性,因此可作为理想的药物靶点。
补充表5 中医药(Traditional Chinese Medicine, TCM)数据库配体的虚拟筛选结果。该批配体在分子对接实验中对EJJ83173蛋白质表现出结合亲和力,此类配体源自中医药成分,可通过靶向作用干预EJJ83173蛋白质的功能。
补充表6 ZINC数据库配体的虚拟筛选结果。该批配体在分子对接实验中对EJJ83173蛋白质表现出结合亲和力,此类配体为商业化可获得的药物,可通过靶向作用干预EJJ83173蛋白质的功能。
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figshare
创建时间:
2021-06-11



