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DOE OSTI · 1625796

Ligands in PSI structures

Kumar, Abhinav·Chiu, Hsiu-Ju·Axelrod, Herbert L.·Morse, Andrew·Elsliger, Marc-André·Wilson, Ian A.·Deacon, Ashley
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Abstract

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.

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59 BASIC BIOLOGICAL SCIENCESPSIbiochemistry & molecular biologybiophysicscrystallographydata miningligandsprotein–ligand complexesstructural genomics

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Kumar, Abhinav, Chiu, Hsiu-Ju, Axelrod, Herbert L., Morse, Andrew, Elsliger, Marc-André, Wilson, Ian A., Deacon, Ashley. 2010-07-06. Ligands in PSI structures. https://doi.org/10.1107/s1744309110008092

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