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首页> 外文期刊>Der Pharma Chemica: journal for medicinal chemistry, pharmaceutical chemistry and computational chemistry >Computational analysis of adverse missense mutations of HLA-B27 protein
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Computational analysis of adverse missense mutations of HLA-B27 protein

机译：HLA-B27蛋白质错义突变的计算分析

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The detrimental missense mutations of HLA-B27 gene causing Ankylosing spondylitis were identified computationally and the substrate binding efficiencies of these mutations were analyzed. Out of 12 variants, IMutant 3.0, SIFT and PolyPhen programs identified 1 variant (Y83H) that was less stable, deleterious as well as damaging respectively. Modeling of this one variant was performed to understand the changes in their conformations with respect to the native HLA-B27 protein by computing their RMSD and Total energy. Furthermore the native and the variant were docked with beta-microglobulin to explain the binding efficiencies of those detrimental missense mutations.
机译：通过计算鉴定了导致强直性脊柱炎的HLA-B27基因的有害错义突变，并分析了这些突变的底物结合效率。在12个变体中，IMutant 3.0，SIFT和PolyPhen程序确定了1个变体（Y83H），它们分别较不稳定，有害和损坏。进行该变体的建模以通过计算其RMSD和总能量来了解其相对于天然HLA-B27蛋白的构象变化。此外，天然和变体与β-微球蛋白对接，以解释那些有害的错义突变的结合效率。

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