Relationships between plant diversity and soil properties are important for restoring ecosystem function to adapt climate change in drylands. Taxonomic, functional and phylogenetic diversity are widely used for understanding community assembly and the responses of plant communities to environmental change. However, one dimension of diversity index is difficult to reflect the multiple dimensional plant diversity, and their effects on soil properties (i.e., moisture, nutrients, and texture characteristics) along aridity gradient in drylands are limitedly understood. In this study, we proposed a holistic biodiversity (HB) index to integrate all the characteristics of plant diversity, and investigated the relationships between plant diversity and soil properties across 41 sites along aridity gradient (from hyperarid to arid and semiarid levels) in drylands of northern China. The results showed that the taxonomic diversity and phylogenetic diversity increased significantly while most of functional diversity indices did not differ significantly along the aridity gradient. The functional diversity was more important than taxonomic and phylogenetic diversity to plant communities, and the importance of taxonomic and phylogenetic diversity varied greatly and inversely along the aridity gradient. The HB index could much better reflect the positive or negative exponential relationships with soil properties compared to the single diversity index. Further, the aridity weakened the positive effects of plant diversity on several soil properties (including soil water content, soil organic carbon and soil total nitrogen), and indirectly strengthened the accumulation of soil total phosphorus, as well as intensified the soil coarsening by limiting the negative effects of plant diversity on soil sand content. Our findings suggest that the holistic biodiversity index can represent the overall traits of plant diversity in drylands, and guide a further step to understand the role of plant diversity in plant-soil relationships of dryland ecosystems.