Utilization of inherent active minerals in coal is an effective strategy for high-performance activated carbon (AC) production, such as calcite and pyrite. In this research, ACs were prepared through blending demineralized Ningxia coal with calcite (CaCO₃, 0–8 wt.%) and pyrite (FeS₂, 0–3 wt.%). The combined effect of inherent pyrite and calcite in coal on the as-prepared AC’s texture and SO₂ and/or NO removal performance was discussed. The results indicated that: (1) The combined effect of calcite and pyrite showed nonlinearly on weight loss and burn-off, and reduced AC’s yield. The impact of calcite on pore structure was more evident than pyrite. Meanwhile, calcite and pyrite enhance the content of Csingle bondO (C 1 s) and π-π*, and new mineral CaS could be formed through interaction between calcite and pyrite; (2) Calcite and pyrite promote AC's SO₂ and NO removal ability evidently. Pyrite and calcite regulate physiochemical texture, and the physical and chemical adsorption of SO₂/O₂/H₂O was enhanced. Meanwhile, iron and calcium ingredients in AC catalyzed desulfurization. CaO could participate in the SO₂ removal process. Fe₂O₃ oxidized SO₂ to SO₃ and then forms H₂SO₄ rapidly, meanwhile, a redox cycle of Fe³⁺ and Fe²⁺ was established. Enhancement of NO removal was more evident than SO₂, which was mainly due to Fe₂O₃ being helpful to oxidizing NO to NO₂, and calcium components could enhance the adsorption of NH₃ and NO and finally promote “fast SCR”; (3) During simultaneous desulphurization and denitrification, sulfur capacity was obviously enhanced and NO conversion was declined. The mechanism was proposed as follows: the existence of NH₃ could enhance the SO₂ adsorption through chemisorption and/or catalytic oxidization; Due to the competitive adsorption of SO₂, denitrification declined. This research could guide high-performance AC production by utilizing high-inorganic-calcium/iron/sulfur coal.