NLDB: a database for 3D protein-ligand interactions in enzymatic reactions.

ABSTRACT: NLDB (Natural Ligand DataBase; URL: http://nldb.hgc.jp ) is a database of automatically collected and predicted 3D protein-ligand interactions for the enzymatic reactions of metabolic pathways registered in KEGG. Structural information about these reactions is important for studying the molecular functions of enzymes, however a large number of the 3D interactions are still unknown. Therefore, in order to complement such missing information, we predicted protein-ligand complex structures, and constructed a database of the 3D interactions in reactions. NLDB provides three different types of data resources; the natural complexes are experimentally determined protein-ligand complex structures in PDB, the analog complexes are predicted based on known protein structures in a complex with a simil

SUBMITTER: Murakami Y 

PROVIDER: S-EPMC5274645 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature