PLI: A web-based tool for the comparison of protein-ligand interactions observed on PDB structures

Anna Maria Gallina, Paola Bisignano, Maurizio Bergamino, Domenico Bordo

Research output: Contribution to journalArticlepeer-review


Motivation: A large fraction of the entries contained in the Protein Data Bank describe proteins in complex with low molecular weight molecules such as physiological compounds or synthetic drugs. In many cases, the same molecule is found in distinct protein-ligand complexes. There is an increasing interest in Medicinal Chemistry in comparing protein binding sites to get insight on interactions that modulate the binding specificity, as this structural information can be correlated with other experimental data of biochemical or physiological nature and may help in rational drug design.Results: The web service protein-ligand interaction presented here provides a tool to analyse and compare the binding pockets of homologous proteins in complex with a selected ligand. The information is deduced from protein-ligand complexes present in the Protein Data Bank and stored in the underlying database.Availability: Freely accessible at

Original languageEnglish
Pages (from-to)395-397
Number of pages3
Issue number3
Publication statusPublished - Feb 1 2013

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Computational Theory and Mathematics
  • Computer Science Applications
  • Computational Mathematics
  • Statistics and Probability
  • Medicine(all)


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