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EasyMIFS and SiteHound: a toolkit for the identification of ligand-binding sites in protein structures.

ABSTRACT: SiteHound uses Molecular Interaction Fields (MIFs) produced by EasyMIFs to identify protein structure regions that show a high propensity for interaction with ligands. The type of binding site identified depends on the probe atom used in the MIF calculation. The input to EasyMIFs is a PDB file of a protein structure; the output MIF serves as input to SiteHound, which in turn produces a list of putative binding sites. Extensive testing of SiteHound for the detection of binding sites for drug-like molecules and phosphorylated ligands has been carried out.EasyMIFs and SiteHound executables for Linux, Mac OS X, and MS Windows operating systems are freely available for download from http://sitehound.sanchezlab.org/download.html.Supplementary data are available at Bioinformatics online.

SUBMITTER: Ghersi D

PROVIDER: S-EPMC2913663 | biostudies-literature | 2009 Dec

REPOSITORIES: biostudies-literature

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EasyMIFS and SiteHound: a toolkit for the identification of ligand-binding sites in protein structures.

Ghersi Dario D Sanchez Roberto R

Bioinformatics (Oxford, England) 20090929 23

<h4>Unlabelled</h4>SiteHound uses Molecular Interaction Fields (MIFs) produced by EasyMIFs to identify protein structure regions that show a high propensity for interaction with ligands. The type of binding site identified depends on the probe atom used in the MIF calculation. The input to EasyMIFs is a PDB file of a protein structure; the output MIF serves as input to SiteHound, which in turn produces a list of putative binding sites. Extensive testing of SiteHound for the detection of binding ...[more]

PMID: 19789268

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