The DrReposER webserver consists of binding interfaces for drug molecules derived from the PDB and similar patterns of amino acids potentially bind to drug molecules, derived from 3D pattern search using the ASSAM computer program.

Three search options are provided:
1. Searching for binding interfaces of a drug molecule
2. Searching existing PDB structures for amino acid 3D patterns similar to known drug binding interfaces
3. Searching a user provided PDB structure for amino acid 3D patterns similar to known drug binding interfaces

Each entry and search results can be visualized using the integrated NGL viewer.

Search for amino acid arrangements similar to known drug binding sites in known target structures / protein-drug complexes

Determine whether the query PDB ID or PDB Ligand ID contains similar patterns of amino acids to binding interfaces for known drug molecules (potential role in repurposing strategies)

Search by PDB ID      : or browse all PDB hits  

Search by Ligand ID  : or browse all ligand hits
Search for drug binding interfaces in protein-drug complexes

(Number of protein-drug complexes in the dataset: 3112)

Search by PDB ID     : or browse all PDBIDs

Search by Ligand ID : or browse all ligands 

Search by Drug         : or browse all drugs   

Search by Keyword  :   or browse categories

Search a protein structure for amino acid residue arrangements similar to a known drug binding site

Searching a protein structure for potential 3D drug binding patterns

Upload a PDB file:

Or enter a 4-letter PDB ID:

e.g., "5eid" or "5EID"

View the precomputed results for 5gkx:(View)