The rapid surge in urbanization has given rise to phenomena such as urban expansion, population congestion, and environmental degradation, thereby posing significant threats to the ecological integrity of watersheds. In the pursuit of building an ecological civilization, considerable emphasis has been placed on fostering a harmonious relationship between human beings and nature, and advancing high-quality development with a robust level of protection. Ecosystem services (ES) and ecosystem service bundles (ES bundles) are of great significance for the conservation and development of ecological spaces in watersheds in the face of rapid urbanization. Clarification of the spatio-temporal changes and driving mechanisms of watershed ecosystem services and their interactions is crucial to the ecological protection and sustainable development of watershed territorial space under the construction of an ecological civilization. Taking the Liangzi Lake Basin as an example, based on the FLUS model, Pearson correlation analysis, Self-Organizing Mapping, Geo-Detector, and other methods, the land use changes in the basin were identified from 2010 to 2030. It reveals the spatio-temporal evolution patterns and driving factors of ecosystem services and their interactions, putting forward the work of basin ecological spatial protection based on ecosystem service bundles. The results show that: (1) From 2010 to 2030, the land use in the basin changed significantly, with the overall performance of decreased cropland and water areas and increased forest and impervious areas. (2) Based on three modeling scenarios, only the ecosystem service value of the basin increased under the ecological protection scenario, whereas the others decreased to varying degrees. (3) Trade-offs and synergistic relationships existed among ecosystem services in the basin, with the synergistic relationship being the most prominent. (4) The basin was classified into six types of ecosystem service bundles, with the service bundle dominated by food production accounting for the largest proportion of the area. Service bundle identification aligned closely with land use types, but the same land type could still provide multiple service bundles with different dominant functions. (5) The differentiation of the basin's ecosystem service bundles was influenced by the interaction between the natural environment, socio-economics, and landscape pattern. Optimizing the landscape pattern can maintain the basin's dominant service function to a certain extent. In conclusion, this study proposes a comprehensive framework for safeguarding and fostering the development of watershed ecological spaces based on dominant ESs. This framework holds substantial significance for the meticulous scientific planning and effective management of watershed ecological spaces.