Buonpane Rebecca A, Moza Beenu, Sundberg Eric J, Kranz David M
Department of Biochemistry, University of Illinois, Urbana, IL 61801, USA.
J Mol Biol. 2005 Oct 21;353(2):308-21. doi: 10.1016/j.jmb.2005.08.041.
Superantigens, including bacterial enterotoxins, are a family of proteins that bind simultaneously to MHC class II molecules and the Vbeta regions of T cell receptors. This cross-linking results in the activation of a large population of T cells that release massive amounts of inflammatory cytokines, ultimately causing a condition known as toxic shock syndrome. The staphylococcal superantigen toxic shock syndrome toxin-1 (TSST-1) is a causative agent of this disease, but its structure in complex with the cognate T cell receptor (human Vbeta2.1) has not been determined. To understand the molecular details of the interaction and to develop high affinity antagonists to TSST-1, we used directed evolution to generate a panel of high affinity receptors for TSST-1. Yeast display libraries of random and site-directed hVbeta2.1 mutants were selected for improved domain stability and for higher affinity binding to TSST-1. Stability mutations allowed the individual Vbeta domains to be expressed in a bacterial expression system. Affinity mutations were generated in CDR2 and FR3 residues, yielding improvements in affinity of greater than 10,000-fold (a K(D) value of 180 pmol). Alanine scanning mutagenesis of hVbeta2.1 wild-type and mutated residues allowed us to generate a map of the binding site for TSST-1 and to construct a docking model for the hVbeta2.1-TSST-1 complex. Our experiments suggest that the energetic importance of a single hVbeta2.1 wild-type residue likely accounts for the restriction of TSST-1 specificity to only this human Vbeta region. The high affinity mutants described here thus provide critical insight into the molecular basis of TSST-1 specificity and serve as potential leads toward the development of therapeutic agents for superantigen-mediated disease.
超抗原,包括细菌肠毒素,是一类能同时与MHC II类分子和T细胞受体的Vβ区域结合的蛋白质。这种交联会导致大量T细胞被激活,这些T细胞会释放大量炎性细胞因子,最终引发一种称为中毒性休克综合征的病症。金黄色葡萄球菌超抗原中毒性休克综合征毒素-1(TSST-1)是这种疾病的病原体,但其与同源T细胞受体(人Vβ2.1)形成复合物的结构尚未确定。为了了解这种相互作用的分子细节并开发针对TSST-1的高亲和力拮抗剂,我们利用定向进化生成了一组针对TSST-1的高亲和力受体。对随机和定点hVβ2.1突变体的酵母展示文库进行筛选,以提高结构域稳定性并增强与TSST-1的高亲和力结合。稳定性突变使单个Vβ结构域能够在细菌表达系统中表达。在互补决定区2(CDR2)和框架区3(FR3)残基中产生亲和力突变,使亲和力提高了10000倍以上(解离常数K(D)值为180 pmol)。对hVβ2.1野生型和突变残基进行丙氨酸扫描诱变,使我们能够绘制出TSST-1的结合位点图谱,并构建hVβ2.1-TSST-1复合物的对接模型。我们的实验表明,单个hVβ2.1野生型残基在能量上的重要性可能是TSST-1特异性仅局限于这人Vβ区域的原因。因此,本文所述的高亲和力突变体为深入了解TSST-1特异性的分子基础提供了关键信息,并有望成为开发超抗原介导疾病治疗药物的潜在先导。