6a,b). The interaction is mainly hydrophobic and is facilitated by hydrogen bonds (Fig. 3b). The ELOA–ELOC interaction interface is highly similar to the pVHL–ELOC interaction interface reported in the HIF-1α–pVHL–ELOC–ELOB structure (PDB 1LM8)34, as shown by the superposition of ...
For carbohydrates in DeepGlycanSite+Ligand, nodes and edges represent the atoms and bonds, respectively. A 512-dimensional molecule feature was introduced for global featurization. Rdkit62processed a query carbohydrate before featurization. Node features included atom symbol, degree, hybridization type, f...
we performed sequence similarity network (SSN) analysis40of all GH18 family members contained in the CAZy database (more than 53 thousand sequences)41. We found that the GH18 family of ENGases (EC 3.2.1.96) from the prevalent human gut bacteriumB. thetaiotaomicron...