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SUPERPOSE FRAGMENTS OF CRYSTAL STRUCTURES


The tool implements a fragment-based pharmacophore method, as published in Fidom K, et al (2015). Interacting ligand moiety - residue pairs extracted from selected crystal structures of GPCRs are superposed onto the input pdb file based on gpcrdb generic residue numbers. Resulting aligned ligand fragments can be used for placement of pharmacophore features.

Upload a pdb file you want to superpose the interacting moiety - residue pairs.

Once you have selected all your targets, click the green button.

For more information on this tool, see the docs.

Select a file to upload:

Pdb file:
Similarity:
Use fragments with identical residues
Use fragments with residues of similar properties
Fragments:
Use fragments from the evolutionary closest crystal structure
Use all available fragments

State: