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  JAIL: a structure-based interface library for macromolecules

Guenther, S., von Eichborn, J., May, P., & Preissner, R. (2009). JAIL: a structure-based interface library for macromolecules. Nucleic Acids Research, 37(Database issue), 338-341. doi:10.1093/Nar/Gkn599.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0014-25C8-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0014-25C9-3
Genre: Journal Article

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 Creators:
Guenther, S.1, Author
von Eichborn, J.1, Author
May, P.2, Author              
Preissner, R.1, Author
Affiliations:
1External Organizations, ou_persistent22              
2BioinformaticsCIG, Infrastructure Groups and Service Units, Max Planck Institute of Molecular Plant Physiology, Max Planck Society, ou_1753303              

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Free keywords: protein interfaces database classification alignments mimicry docking
 Abstract: 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 http://bioinformatics.charite.de/jail.

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Language(s): eng - English
 Dates: 2008-10-042009
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Type: -
 Identifiers: ISI: ISI:000261906200061
DOI: 10.1093/Nar/Gkn599
ISSN: 1362-4962 (Electronic) 0305-1048 (Linking)
URI: ://000261906200061 http://nar.oxfordjournals.org/content/37/suppl_1/D338.full.pdf
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Title: Nucleic Acids Research
Source Genre: Journal
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Pages: - Volume / Issue: 37 (Database issue) Sequence Number: - Start / End Page: 338 - 341 Identifier: -