20.500.12556/DKUM-91789 Enzyme cascade to enzyme complex phase-transition-like transformation studied by the maximum entropy production principle In biological cells, soluble enzymes often spontaneously reorganize into higher-order complexes called metabolons, providing regulatory advantages over individual soluble enzymes under specific conditions. Despite their importance, the mechanisms underlying metabolon formation remain unclear. Here we report a theoretical model that elucidates the spontaneous transition between soluble enzyme cascades and complexes, driven by fluctuations in intermediate metabolite concentrations. The model integrates the maximum entropy production principle (MEPP) and the Shannon information entropy (MaxEnt), Landau phase-transition theory, kinetic modeling, stability analysis, and metabolic control analysis. Our results show that soluble enzymes and enzyme complexes represent two distinct catalytic states with unique kinetic and regulatory properties. The transition from an enzyme cascade to an enzyme complex displays features of a first-order phasetransition, highlighting the system's tendency to reorganize into its most thermodynamically favorable state, providing a potential pathway for metabolic regulation. theoretical modeling irreversible thermodynamics maximum entropy production principle Shannon information entropy first-order phase transition enzyme organization enzyme cascade enzyme complex teoretično modeliranje ireverzibilna termodinamika princip največje proizvodnje entropije Shannonova informacijska entropija fazni prehod prvega reda encimska organizacija encimska kaskada encimski kompleks true false true Angleški jezik Slovenski jezik Znanstveno delo 2025-02-06 08:09:12 2025-02-06 08:13:41 2025-02-07 03:11:39 0000-00-00 00:00:00 2025 0 0 str. 1-11 št. 2, št. članka 102400 Letn. 6 2025 0000-00-00 NiDoloceno VTisku NiDoloceno 2024-11-16 2024-12-30 2025-01-23 536.7 225246211 10.1016/j.xcrp.2024.102400 2666-3864 RAZ_Dobovisek_Andrej_2025.pdf RAZ_Dobovisek_Andrej_2025.pdf 1 CD2D6DDEE8CD40E7E3FE54849D52C57A 83610a4aabfd41c099ea1b969c7cefe8079058c75bf365c7641f0f00d463afd1 ba91d631-e459-11ef-8133-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=188482 https://doi.org/10.1016/j.xcrp.2024.102400 1 467d4368-e459-11ef-8133-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=188481 Fakulteta za naravoslovje in matematiko 0 0 0