The neutron activation inventories in reactor vessel and its internals, and bio-shield of a PWR nuclear power plant were calculated to evaluate the effect of impurity elements contained in the structural materials on the activation inventory. Carbon steel is, in this work, used as the reactor vessel material, stainless steel as the reactor vessel internals, and ordinary concrete as the bio-shield. For stainless steel and carbon steel, one kind of impurity concentration was employed, and for ordinary concrete five kinds were employed in this study using MCNP5 and FISPACT for the calculation of neutron flux and activation inventory, respectively. As the results, specific activities for the cases with impurity elements were calculated to be more than twice than those for the cases without impurity elements in stainless and carbon steel. Especially, the specific activity for the concrete material with impurity elements was calculated to be 30 times higher than that without impurity. Neutron induced reactions and activation inventories in each material were also investigated, and it is noted that major radioactive nuclide in steel material is Co-60 from cobalt impurity element, and, in concrete material, Co-60 and Eu-152 from cobalt and europium impurity elements, respectively. The results of this study can be used for nuclear decommissioning plan during activation inventory assessment and regulation, and it is expected to be used as a reference in the design phase of nuclear power plant, considering the decommissioning of nuclear power plants or nuclear facilities.