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2P2Idb v2: update of a structural database dedicated to orthosteric modulation of protein-protein interactions. | LitMetric

AI Article Synopsis

  • 2P2Idb is a specialized database that focuses on protein-protein interactions and small molecule orthosteric modulators, compiling structural data from the RCSB Protein Data Bank.
  • The database has expanded significantly since its launch in 2010, now featuring 27 protein-protein complexes and 274 protein-inhibitor complexes with a total of 242 unique small molecule inhibitors.
  • New tools and data, such as improved search functions, binding affinities, and detailed interface parameters, enhance the resource for researchers studying protein interactions and developing modulators.

Article Abstract

2P2Idb is a hand-curated structural database dedicated to protein-protein interactions with known small molecule orthosteric modulators. It compiles the structural information related to orthosteric inhibitors and their target [i.e. related 3D structures available in the RCSB Protein Data Bank (PDB)] and provides links to other useful databases. 2P2Idb includes all interactions for which both the protein-protein and protein-inhibitor complexes have been structurally characterized. Since its first release in 2010, the database has grown constantly and the current version contains 27 protein-protein complexes and 274 protein-inhibitor complexes corresponding to 242 unique small molecule inhibitors which represent almost a 5-fold increase compared to the previous version. A number of new data have been added, including new protein-protein complexes, binding affinities, molecular descriptors, precalculated interface parameters and links to other webservers. A new query tool has been implemented to search for inhibitors within the database using standard molecular descriptors. A novel version of the 2P2I-inspector tool has been implemented to calculate a series of physical and chemical parameters of the protein interfaces. Several geometrical parameters including planarity, eccentricity and circularity have been added as well as customizable distance cutoffs. This tool has also been extended to protein-ligand interfaces. The 2P2I database thus represents a wealth of structural source of information for scientists interested in the properties of protein-protein interactions and the design of protein-protein interaction modulators. Database URL: http://2p2idb.cnrs-mrs.fr.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4792518PMC
http://dx.doi.org/10.1093/database/baw007DOI Listing

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