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Databases for protein-ligand complexes.

M Hendlich1

  • 1Institute for Pharmaceutical Chemistry, University of Marburg, Marbacher Weg 6, 35032 Marburg, Germany. hendlich@mailer.uni-marburg.de

Acta Crystallographica. Section D, Biological Crystallography
|March 25, 1999
PubMed
Summary
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Managing large protein-ligand complex data requires new tools. The ReLiBase database offers efficient querying for analyzing these structures, aiding structure-based drug design.

Area of Science:

  • Biochemistry
  • Structural Biology
  • Bioinformatics

Background:

  • Experimental techniques have generated vast amounts of data on protein-ligand complexes.
  • Effective data management and access tools are crucial for leveraging this information.

Purpose of the Study:

  • To discuss web-accessible databases for protein-ligand data.
  • To introduce and highlight the ReLiBase database system for storing and analyzing protein-ligand complex structures.

Main Methods:

  • Description of web-accessible database systems for protein-ligand data.
  • Focus on the ReLiBase database, a 3D system for storing and analyzing protein-ligand complexes from the Protein Data Bank (PDB).
  • Utilizing efficient query tools within ReLiBase for ligand and complex analysis.

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Main Results:

  • ReLiBase provides efficient tools for querying and analyzing protein-ligand complex structures.
  • The database facilitates the identification and analysis of ligands within protein structures.
  • Demonstration of ReLiBase's utility in structure-based drug design.

Conclusions:

  • Web-accessible databases are essential for managing large-scale protein-ligand complex data.
  • ReLiBase is a valuable resource for storing, analyzing, and querying protein-ligand structural data.
  • The ReLiBase system supports and enhances structure-based drug design efforts.