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PRECISE: A Database of Predicted and Consensus Interaction Sites in Enzymes

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dc.contributor.author Sheu, Shu-Hsien en_US
dc.contributor.author Lancia, David R. en_US
dc.contributor.author Clodfelter, Karl H. en_US
dc.contributor.author Landon, Melissa R. en_US
dc.contributor.author Vajda, Sandor en_US
dc.date.accessioned 2012-01-11T00:39:15Z
dc.date.available 2012-01-11T00:39:15Z
dc.date.issued 2004-12-17 en_US
dc.identifier.citation Sheu, Shu-Hsien, David R. Lancia, Karl H. Clodfelter, Melissa R. Landon, Sandor Vajda. "PRECISE: a Database of Predicted and Consensus Interaction Sites in Enzymes" Nucleic Acids Research 33(Database Issue): D206-D211. (2004) en_US
dc.identifier.issn 1362-4962 en_US
dc.identifier.uri http://hdl.handle.net/2144/3022
dc.description.abstract PRECISE (Predicted and Consensus Interaction Sites in Enzymes) is a database of interactions between the amino acid residues of an enzyme and its ligands (substrate and transition state analogs, cofactors, inhibitors and products). It is available online at http://precise.bu.edu/. In the current version, all information on interactions is extracted from the enzyme–ligand complexes in the Protein Data Bank (PDB) by performing the following steps: (i) clustering homologous enzyme chains such that, in each cluster, the proteins have the same EC number and all sequences are similar; (ii) selecting a representative chain for each cluster; (iii) selecting ligand types; (iv) finding non-bonded interactions and hydrogen bonds; and (v) summing the interactions for all chains within the cluster. The output of the search is the color-coded sequence of the representative. The colors indicate the total number of interactions found at each amino acid position in all chains of the cluster. Clicking on a residue displays a detailed list of interactions for that residue. Optional filters allow restricting the output to selected chains in the cluster, to non-bonded or hydrogen bonding interactions, and to selected ligand types. The binding site information is essential for understanding and altering substrate specificity and for the design of enzyme inhibitors. en_US
dc.description.sponsorship National Science Foundation (DBI-9904834); National Institutes of Health (GM64700); National Institute of Environmental Health Sciences (P42 ES07381) en_US
dc.language.iso en en_US
dc.publisher Oxford University Press en_US
dc.title PRECISE: A Database of Predicted and Consensus Interaction Sites in Enzymes en_US
dc.type article en_US
dc.identifier.doi 10.1093/nar/gki091 en_US
dc.identifier.pubmedid 15608178 en_US
dc.identifier.pmcid 540045 en_US


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