Department of Chemistry, Williams College, Williamstown, Massachusetts, USA.
Protein Sci. 2024 Jan;33(1):e4816. doi: 10.1002/pro.4816.
To investigate how disulfide bonds can impact protein energy landscapes, we surveyed the effects of adding or removing a disulfide in two β-lactamase enzymes, TEM-1 and CTX-M-9. The homologs share a structure and 38% sequence identity, but only TEM-1 contains a native disulfide bond. They also differ in thermodynamic stability and in the number of states populated at equilibrium: CTX-M-9 is two-state whereas TEM-1 has an additional intermediate state. We hypothesized that the disulfide bond is the major underlying determinant for these observed differences in their energy landscapes. To test this, we removed the disulfide bridge from TEM-1 and introduced a disulfide bridge at the same location in CTX-M-9. This modest change to sequence modulates the stabilities-and therefore populations-of TEM-1's equilibrium states and, more surprisingly, creates a novel third state in CTX-M-9. Unlike TEM-1's partially folded intermediate, this third state is a higher-order oligomer with reduced cysteines that retains the native fold and is fully active. Sub-denaturing concentrations of urea shifts the equilibrium to the monomeric form, allowing the disulfide bond to form. Interestingly, comparing the stability of the oxidized monomer with a variant lacking cysteines reveals the disulfide is neither stabilizing nor destabilizing in CTX-M-9, in contrast with the observed stabilization in TEM-1. Thus, we can conclude that engineering disulfide bonds is not always an effective stabilization strategy even when analogous disulfides exist in more stable structural homologs. This study also illustrates how homo-oligomerization can result from a small number of mutations, suggesting complex formation might be easily accessed during a protein family's evolution.
为了研究二硫键如何影响蛋白质的能量景观,我们调查了在两种β-内酰胺酶酶,TEM-1 和 CTX-M-9 中添加或去除二硫键的影响。这些同源物具有相似的结构和 38%的序列同一性,但只有 TEM-1 含有天然的二硫键。它们在热力学稳定性和平衡时占据的状态数量上也有所不同:CTX-M-9 是两态的,而 TEM-1 则有一个额外的中间状态。我们假设二硫键是导致它们能量景观中这些观察到的差异的主要潜在决定因素。为了验证这一点,我们从 TEM-1 中去除了二硫键,并在 CTX-M-9 的相同位置引入了二硫键。这种对序列的微小改变调节了 TEM-1 平衡状态的稳定性和因此占据的状态数量,更令人惊讶的是,在 CTX-M-9 中创建了一个新的第三个状态。与 TEM-1 的部分折叠中间态不同,这个第三个状态是一个具有降低半胱氨酸的更高阶寡聚物,保留了天然折叠并具有完全活性。亚变性浓度的脲使平衡向单体形式转移,允许二硫键形成。有趣的是,将氧化单体的稳定性与缺乏半胱氨酸的变体进行比较表明,二硫键在 CTX-M-9 中既不稳定也不稳定,与在 TEM-1 中观察到的稳定作用形成对比。因此,我们可以得出结论,即使在结构同源物中存在更稳定的类似二硫键时,工程二硫键也不一定是一种有效的稳定策略。这项研究还说明了同源寡聚化如何可以由少数突变产生,这表明在蛋白质家族的进化过程中,可能很容易形成复杂的结构。