Fig. 4
From: Leveraging AI to explore structural contexts of post-translational modifications in drug binding
Structure of Mineralocorticoid receptor (PDB: 3 VHV, shown in grey) in complex with inhibitor (PDB id: LD1, in magenta) and the modelled positions of this drug. A Unmodified state. B PTM-modified state. Drug positions modelled by RFAA shown in green, Chai-1 in orange, KarmaDock in cyan, AlphaFold3 in slate. Experimental position of the drug and Ser843 are shown in magenta and thick sticks. The phosphorylated residue is shown in colors corresponding to the methods by which it was modeled