Open AccessLigands in PSI structures
Author(s) -
Kumar Abhinav,
Chiu HsiuJu,
Axelrod Herbert L.,
Morse Andrew,
Elsliger MarcAndré,
Wilson Ian A.,
Deacon Ashley
Publication year - 2010
Publication title -
acta crystallographica section f
Language(s) - English
Resource type - Journals
ISSN - 1744-3091
DOI - 10.1107/s1744309110008092
Subject(s) - ligand (biochemistry) , characterization (materials science) , type (biology) , crystal structure , crystallography , annotation , chemistry , variety (cybernetics) , computer science , materials science , nanotechnology , biology , biochemistry , artificial intelligence , ecology , receptor
Approximately 65% of PSI structures report some type of ligand(s) that is bound in the crystal structure. Here, a description is given of how such ligands are handled and analyzed at the JCSG and a survey of the types, variety and frequency of ligands that are observed in the PSI structures is also compiled and analyzed, including illustrations of how these bound ligands have provided functional clues for annotation of proteins with little or no previous experimental characterization. Furthermore, a web server was developed as a tool to mine and analyze the PSI structures for bound ligands and other identifying features.