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A fast approximate method of identifying paths of allosteric communication in proteins
Author(s) -
Erman Burak
Publication year - 2013
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.24284
Subject(s) - allosteric regulation , glutamine amidotransferase , gaussian network model , glutamine , gaussian , computational biology , chemistry , computer science , biology , biochemistry , computational chemistry , amino acid , enzyme
Fluctuations of the distance between a pair of residues i and j may be correlated with the fluctuations of the distance between another pair k and l . In this case, information may be transmitted among these four residues. Allosteric activity is postulated to proceed through such correlated paths. In this short communication a fast method for calculating correlations among all possible pairs ij and kl leading to a pathway of correlated residues of a protein is proposed. The method is based on the alpha carbon centered Gaussian Network Model. The model is applied to Glutamine Amidotransferase and pathways of allosteric activity are identified and compared with literature. Proteins 2013; 81:1097–1101. © 2013 Wiley Periodicals, Inc.