| Methods | The X-ray structures of ppGalNAcT isoforms 2 (PDB ID: 2FFU) and 10 (PDB ID: 2D7I) were superimposed using Accelrys Discovery Studio Visualizer 3.1 to minimize RMS distance between corresponding C-alpha atoms of the catalytic domain (81 Fig). |
| Reactant and product structures | The initial model was prepared from the X-ray structures of human isoform 2 [21] (PDB: 2FFU) and isoform 10 [22] (PDB: 2D7I), where the former includes a short acceptor peptide EA2 and the UDP part of the donor molecule, and the latter includes a hydrolyzed UDP-Gal-NAc. |
| leaving phosphate. | Residue Included part Function agreement with available experimental evidence [12] , including the recent X-ray structures based on modified substrates. |