Department of Chemistry and Chemical Biology , Northeastern University , Boston , Massachusetts 02115 , United States.
Department of Chemistry , University of North Texas , Denton , Texas 76203 , United States.
Chem Res Toxicol. 2018 Aug 20;31(8):697-711. doi: 10.1021/acs.chemrestox.8b00055. Epub 2018 Jul 30.
Specialized DNA damage-bypass Y-family DNA polymerases contribute to cancer prevention by providing cellular tolerance to DNA damage that can lead to mutations and contribute to cancer progression by increasing genomic instability. Y-family polymerases can also bypass DNA adducts caused by chemotherapy agents. One of the four human Y-family DNA polymerases, DNA polymerase (pol) κ, has been shown to be specific for bypass of minor groove adducts and inhibited by major groove adducts. In addition, mutations in the gene encoding pol κ are associated with different types of cancers as well as with chemotherapy responses. We characterized nine variants of pol κ whose identity was inferred from cancer-associated single nucleotide polymorphisms for polymerization activity on undamaged and damaged DNA, their abilities to extend from mismatched or damaged base pairs at primer termini, and overall stability and dynamics. We find that these pol κ variants generally fall into three categories: similar activity to wild-type (WT) pol κ (L21F, I39T, P169T, F192C, and E292K), more active than WT pol κ (S423R), and less active than pol κ (R219I, R298H, and Y432S). Of these, only pol κ variants R298H and Y432S had markedly reduced thermal stability. Molecular dynamics (MD) simulations with undamaged DNA revealed that the active variant F192C and more active variant S423R with either correct or incorrect incoming nucleotide mimic WT pol κ with the correct incoming nucleotide, whereas the less active variants R219I, R298H, and Y432S with the correct incoming nucleotide mimic WT pol κ with the incorrect incoming nucleotide. Thus, the observations from MD simulations suggest a possible explanation for the observed experimental results that pol κ adopts specific active and inactive conformations that depend on both the protein variant and the identity of the DNA adduct.
专门的 DNA 损伤旁路 Y 家族 DNA 聚合酶通过为细胞提供对可能导致突变的 DNA 损伤的耐受性,从而有助于预防癌症,并通过增加基因组不稳定性来促进癌症的进展。Y 家族聚合酶还可以绕过化疗药物引起的 DNA 加合物。人类四种 Y 家族 DNA 聚合酶之一的 DNA 聚合酶 (pol) κ 已被证明对小沟加合物的旁路具有特异性,并且被大沟加合物抑制。此外,编码 pol κ 的基因突变与不同类型的癌症以及化疗反应有关。我们对 9 种 pol κ 变体进行了表征,这些变体的身份是根据与癌症相关的单核苷酸多态性推断出来的,用于在未受损和受损 DNA 上进行聚合反应的活性、在引物末端从错配或受损碱基对延伸的能力以及整体稳定性和动力学。我们发现这些 pol κ 变体通常分为三类:与野生型 (WT) pol κ 相似的活性 (L21F、I39T、P169T、F192C 和 E292K)、比 WT pol κ 更活跃 (S423R) 和比 pol κ 更不活跃 (R219I、R298H 和 Y432S)。在这些变体中,只有 pol κ 变体 R298H 和 Y432S 的热稳定性明显降低。使用未受损 DNA 的分子动力学 (MD) 模拟表明,活性变体 F192C 和更活跃的变体 S423R,无论是正确还是错误的引入核苷酸,都可以模拟 WT pol κ 与正确的引入核苷酸,而活性较差的变体 R219I、R298H 和 Y432S 与正确的引入核苷酸则模拟 WT pol κ 与错误的引入核苷酸。因此,MD 模拟的观察结果为实验结果提供了一种可能的解释,即 pol κ 采用特定的活性和非活性构象,这取决于蛋白质变体和 DNA 加合物的身份。