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[Display omitted] • Revolutionizing National Park zoning in China with keystone species. • Habitat suitability of 16 wildlife in Kunlun area exhibits heterogeneity with MaxEnt. • KMNP's boundary and functional zoning were optimized, outperforming the selected area. National parks in China play a vital role in preserving biodiversity, protecting endangered species, maintaining ecological balance, and promoting sustainable development amid global biodiversity decline. Boundary delimitation and functional zoning within these parks are crucial for preserving ecosystem integrity and species diversity. In the case study of Kunlun Mountains National Park (KMNP, Qinghai section), an extensive wildlife background survey yielded 4,523 occurrence records (3,921 after optimization) for 16 nationally protected wildlife species. Using the ecological niche model, this study aimed to explore the boundary range, functional zoning, and protection gap areas within KMNP by simulating the suitable spatial distribution of wildlife species, taking into account their protection and endangered statuses. The findings indicated that the primary habitat for key protected species in KMNP mainly occupied meadow and steppe in terms of vegetation types, along with grassland and unused land in terms of land use types, with average annual precipitation from 200 mm to 400 mm, elevations ranging from 4,100 m to 4,700 m, and average annual temperatures from −4.5℃ to −2℃. The suitable distribution of different wildlife species in the Kunlun Mountains area showed variations, mainly concentrated in the southwestern, central, and southeastern regions. The optimized KMNP covered around 49,800 km2, a 16.3 % reduction from the selected area, with the core protection zone at 16,300 km2 and the general control zone at 33,200 km2. The suitability of 93.75 % (15/16) species within the core protection area of KMNP was higher comparing to the optimized area, selected area, and Mangya-Golmud-Dulan area, indicating that the boundary delimitation and functional zoning of KMNP were highly rational. The boundary range and functional zoning method developed in this study provide a crucial scientific foundation for KMNP's conservation and management, and valuable guidance for national park construction, ecosystem preservation, biodiversity conservation, and the promotion of key species' reproduction and survival on the Qinghai-Tibet Plateau, with promising future applications. [ABSTRACT FROM AUTHOR]