Fig. 5: AlphaFill helps to understand the activation state of the Abl kinase AlphaFold model.
From: AlphaFill: enriching AlphaFold models with ligands and cofactors
a, AlphaFill model of the ABL1 kinase with ADP and magnesium ions shown. The state of the kinase is not known a priori. b, AlphaFill model of the ABL1 kinase with ATP (mapped from AGS) bound. c, ADP binding site of the human ABL1 kinase in PDB-REDO entry 2g2i (ref. 30), which represents an active kinase state. d, ABL1 kinase bound with AGS in PDB-REDO entry 2g2f (ref. 30), which represents an ‘intermediate’ kinase state. The kinase is presented as gray ribbon diagram for all panels, ligands are in blue cylinders colored by atom type for noncarbon atoms, and magnesium ions are shown as blush pink spheres.
