PDBe RelLig: Relevant Ligands in PDB

With over 200,000 entries in the PDB, about 75% of these structures contain at least one ligand bound to a protein or nucleic acid. However, not all ligands are biologically relevant, some are present due to experimental necessities, such as aiding crystallisation or enabling cryoprotection, while others play biologically significant roles acting as cofactors, reactants or drugs. Unfortunately, the biological role of ligands present in PDB entries is not annotated in the PDB/mmCIF files. PDBe RelLig is designed to bridge this gap by automatically annotating the ligand’s functional role as the following:

• Cofactors
• Reactants
• Drugs

API documentation

Comprehensive API documentation with information on every function, class and method. This is automatically generated from the pdberellig source code and comments.

• API documentation