Extended Data Fig. 2: Chemical structures and electron density maps for the ABLE-fragment complex structures (PDBs: 7HJA, 7HJ2, 7HJL, 7HJY, 7HK3, 7HK1, 7HK2, 7HJH, 7HIY, 7HIZ, 7HJV, 7HJC.
From: Emergence of specific binding and catalysis from a designed generalist binding protein
PanDDA event maps (blue mesh, 2 σ) are contoured around fragments (teal/yellow sticks). The sidechains of residues Tyr46 and His49 are shown with purple sticks. Fragment names, PDB codes, resolution, 1-BDC value and refined occupancies are indicated. Hydrogen bonds are shown with dashed black lines. For clarity, residues 10–23 and 105–118 are hidden for fragments binding in the ABLE core. His49-mediated polar interaction could be found in the majority of fragments at site B.
