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.

Natural Complex

122,832

Experimentally determined structures

Analog Complex

current: 32,882

obsolete: 4,084

Transformation of a natural ligand to its analog, and then the local optimization of the embedded ligand

Ab initio Complex

current: 67,722

obsolete: 5,120

Docking of a natural ligand to predicted ligand-binding sites, and then the local optimization of the embedded ligand

(Last Update: 25-Jan-2024)

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