CINF Jeremy Garritano  Tuesday, April 09, 2013 

81 - Chemistry-related resources at the Protein Data Bank in Europe

Gary Battle, battle@ebi.ac.uk, Gerard Kleywegt, Sameer Velankar, Tom Oldfield, Swanand Gore, Saqib Mir, Jose Dana. The European Bioinformatics Institute, Protein Data Bank in Europe, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, United Kingdom

The 3-dimensional structures of protein-ligand complexes determined using X-ray diffraction provide a window into the world of protein structure and function. The Protein Data Bank is the single worldwide repository of 3D structures of biological macromolecules and includes over 14,000 distinct ligands bound to proteins or nucleic acids. Information on the geometry of these small molecules and their interactions with proteins are crucial to our understanding of biochemical processes and are vital for structure-based drug design.

The Protein Data Bank in Europe (PDBe; pdbe.org) is a core resource at the EBI and a founding member of the Worldwide Protein Data Bank (wwPDB; wwpdb.org). This talk will review the freely available chemistry-related resources provided by PDBe. We will also discuss recent initiatives to assess and improve the quality of ligands in the PDB archive and continuing efforts to help chemists understand how to retrieve and interpret 3D structural information.


Tuesday, April 9, 2013 10:50 AM
Public Databases Serving the Chemistry Community (08:30 AM - 11:55 AM)
Location: Morial Convention Center
Room: 350

 

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