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

87,404

Experimentally determined structures

Analog Complex

31,672

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

Ab initio Complex

70,570

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

(Last Update: 21-Nov-2019)

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