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A database of macromolecular motions

M Gerstein1, W Krebs

  • 1Department of Molecular Biophysics and Biochemistry, 266 Whitney Avenue, Yale University, PO Box 208114, New Haven, CT 06520, USA. mark.gerstein@yale.edu

Nucleic Acids Research
|September 2, 1998
PubMed
Summary

This study introduces MolMovDB, a comprehensive database cataloging macromolecular motions, particularly protein movements. It systematically classifies these motions by size and packing, aiding structural biology research.

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Area of Science:

  • Structural Biology
  • Bioinformatics
  • Computational Biology

Background:

  • Macromolecular motions are crucial for biological function.
  • Systematic classification and accessibility of motion data are lacking.
  • Understanding protein and nucleic acid dynamics requires comprehensive structural information.

Purpose of the Study:

  • To create a comprehensive, web-accessible database of macromolecular motions.
  • To systematize instances of protein and nucleic acid movement with structural data.
  • To provide a standardized framework for describing and analyzing molecular dynamics.

Main Methods:

  • Development of the Macromolecular Motions Database (MolMovDB).
  • Hierarchical classification of protein motions based on size (fragment, domain, subunit) and packing (shear, hinge, other).
  • Incorporation of evidence type (experimental, inferred) and standardized motion nomenclature.

Main Results:

  • The database currently contains over 120 macromolecular motions, primarily proteins.
  • A hierarchical classification system for protein motions is established.
  • The database supports standardized descriptions of motion aspects and evidence.

Conclusions:

  • MolMovDB provides a valuable resource for the structural biology community.
  • The database is transitioning to an object-relational model for improved data handling.
  • It offers tools for visualizing motion pathways and generating movies from coordinates.

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