Soil heavy metal contamination is crucial due to menacing food safety and mortal health. At present, with the fast advancement of urbanization and industrialization, heavy metals are increasingly released into the soil by anthropogenic activities, and the soil ecosystem contamination around the Danjiangkou Reservoir is directly associated with water quality security of the reservoir. In this paper, using 639 soil samples from the Danjiangkou Reservoir, Henan Province, China, we studied a variety of space distribution characteristics of heavy metals in soil. Geographic information system analysis (GIS), geo-accumulation index (Igeo), contamination factor (CF), principal component analysis (PCA) model, and positive matrix factorization (PMF) model were used together to recognize and quantify the distribution, contamination, and origin of heavy metals. We uncovered an exceptional variety of heavy metal concentrations among the tested soils: the mean arsenic (As), cadmium (Cd), cobalt (Co), chromium (Cr), manganese (Mn), nickel (Ni), zinc (Zn), lead (Pb) and mercury (Hg) concentrations (14.54, 0.21, 18.69, 81.69, 898.42, 39.37, 79.50, 28.11, 0.04 mg/kg, respectively, in the topsoil (0–20 cm depth)), all exceed their background values. The mean Igeo value and CF values of these trace elements are both in descending order: Cd > Co > Mn > Ni > Pb > Zn > Cr > As > Hg. Cd was the highest contributor to the assessment of heavy metal pollution, with an average Igeo value over three, indicating that the study area is modestly contaminated by Cd. The PCA analysis and PMF model revealed three potential sources, including natural sources (PC1) for Cr, Co, Mn and Ni; agricultural sources (PC2) for Cd, Zn and Hg; and industrial emissions and transportation sources (PC3) for Pb. This study displays a map of heavy metal contamination in the eastern area topsoil of the Danjiangkou Reservoir, showing the most severe pollutant is Cd, which poses a threat to the water quality security of Danjiangkou Reservoir and provides a significant source identification for future contamination control.