Reference : JAIL: a structure-based interface library for macromolecules.
Scientific journals : Article
Life sciences : Biochemistry, biophysics & molecular biology
JAIL: a structure-based interface library for macromolecules.
Gunther, Stefan [> >]
von Eichborn, Joachim [> >]
May, Patrick mailto [Max-Planck-Institute for Molecular Plant Physiology - MPIMP > Bioinformatics]
Preissner, Robert [> >]
Nucleic Acids Research
Database issue
Yes (verified by ORBilu)
[en] DNA/chemistry ; Databases, Protein ; Immunoglobulin Fab Fragments/chemistry ; Nucleic Acids/chemistry ; Protein Conformation ; Protein Interaction Domains and Motifs
[en] The increasing number of solved macromolecules provides a solid number of 3D interfaces, if all types of molecular contacts are being considered. JAIL annotates three different kinds of macromolecular interfaces, those between interacting protein domains, interfaces of different protein chains and interfaces between proteins and nucleic acids. This results in a total number of about 184,000 database entries. All the interfaces can easily be identified by a detailed search form or by a hierarchical tree that describes the protein domain architectures classified by the SCOP database. Visual inspection of the interfaces is possible via an interactive protein viewer. Furthermore, large scale analyses are supported by an implemented sequential and by a structural clustering. Similar interfaces as well as non-redundant interfaces can be easily picked out. Additionally, the sequential conservation of binding sites was also included in the database and is retrievable via Jmol. A comprehensive download section allows the composition of representative data sets with user defined parameters. The huge data set in combination with various search options allow a comprehensive view on all interfaces between macromolecules included in the Protein Data Bank (PDB). The download of the data sets supports numerous further investigations in macromolecular recognition. JAIL is publicly available at

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