Paper Info
Title
FireDB: a compendium of biological and pharmacologically relevant ligands.
Abstract
FireDB (http://firedb.bioinfo.cnio.es) is a curated inventory of catalytic and biologically relevant small ligand-binding residues culled from the protein structures in the Protein Data Bank. Here we present the important new additions since the publication of FireDB in 2007. The database now contains an extensive list of manually curated biologically relevant compounds. Biologically relevant compounds are informative because of their role in protein function, but they are only a small fraction of the entire ligand set. For the remaining ligands, the FireDB provides cross-references to the annotations from publicly available biological, chemical and pharmacological compound databases. FireDB now has external references for 95% of contacting small ligands, making FireDB a more complete database and providing the scientific community with easy access to the pharmacological annotations of PDB ligands. In addition to the manual curation of ligands, FireDB also provides insights into the biological relevance of individual binding sites. Here, biological relevance is calculated from the multiple sequence alignments of related binding sites that are generated from all-against-all comparison of each FireDB binding site. The database can be accessed by RESTful web services and is available for download via MySQL.
Year
DOI
Venue
2014
10.1093/nar/gkt1127
NUCLEIC ACIDS RESEARCH
Keywords
Field
DocType
binding sites,proteins,internet,ligands
Compendium,Binding site,Biology,Ligand,Bioinformatics,Computational biology,Molecular Sequence Annotation,Web service,Protein Data Bank,Genetics,Protein Data Bank (RCSB PDB),Protein structure
Journal
Volume
Issue
ISSN
42
D1
0305-1048
Citations 
PageRank 
References 
4
0.46
22
Authors
7
Name
Order
Citations
PageRank
Paolo Maietta1352.14
Gonzalo Lopez21027.61
Angel Carro3313.12
Benjamin J Pingilley440.46
Leticia G Leon540.46
Alfonso Valencia62577322.43
Michael L Tress718311.61