Fig. 3: Human myoglobin structures in AlphaFold and AlphaFill.
From: AlphaFill: enriching AlphaFold models with ligands and cofactors
a, The ribbon diagram of the AlphaFold model of human myoglobin. b, The heme-shaped cavity in the AlphaFold model, wherein the histidine side chains (gray cylinders colored by atom type) are ready to facilitate the heme biding. c, The heme-shaped cavity in the AlphaFill model, wherein the binding site is ‘filled’ with the transplanted heme group and the CO and O2 ligands; ligands are shown in stick-mode colored by atom type (heme) with the heme iron as a gray sphere.
