NLDB: Natural Ligand DataBase - A database of protein-ligand interactions in three-dimension.
The ligand in the database is a “natural ligand” generated by the knowledge of enzymatic reactions appeared in KEGG combined with a three-dimensional data of protein-analog interactions in PDB.
Experimentally determined structures
Transformation of a natural ligand to its analog, and then the local optimization of the embedded ligand
Docking of a natural ligand to predicted ligand-binding sites, and then the local optimization of the embedded ligand
(Last Update: 21-Nov-2019)