JMJD5 Dioxygenase Inhibition Mechanism by 2-Hydroxyglutarate: A QM/MM Study
Jumonji domain-containing protein 5 (JMJD5) is a FeII/2-oxoglutarate-dependent oxygenase implicated in cellular metabolism and cancer-related processes. Although the oncometabolite 2-hydroxyglutarate (2-HG) is known to inhibit JMJD5, the molecular origin of this inhibition remains unclear. Here, molecular dynamics si...