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A geometry-based generic predictor for catalytic and allosteric sites

Bergen Open Research Archive

Show simple item record Mitternacht, Simon eng Berezovsky, Igor N. eng 2012-11-12T10:07:04Z 2012-11-12T10:07:04Z 2011 eng
dc.identifier.citation Protein Engineering, Design and Selection 24(4): 405-409 eng
dc.identifier.issn 1741-0126 eng
dc.description.abstract An important aspect of understanding protein allostery, and of artificial effector design, is the characterization and prediction of substrate- and effector-binding sites. To find binding sites in allosteric enzymes, many of which are oligomeric with allosteric sites at domain interfaces, we devise a local centrality measure for residue interaction graphs, which behaves well for both small/monomeric and large/multimeric proteins. The measure is purely structure based and has a clear geometrical interpretation and no free parameters. It is not biased towards typically catalytic residues, a property that is crucial when looking for non-catalytic effector sites, which are potent drug targets. eng
dc.description.sponsorship Norwegian Research Council/FUGE II eng
dc.language.iso eng eng
dc.publisher Oxford University Press eng
dc.subject Allostery eng
dc.subject allosteric regulation eng
dc.subject catalytic sites eng
dc.subject binding sites eng
dc.subject site prediction eng
dc.subject local closeness eng
dc.subject Protein structure eng
dc.subject Enzyme eng
dc.subject.ddc 572.330285 (DDC23 WebDewey) eng
dc.subject.ddc 572.633 (DDC23 WebDewey) eng
dc.subject.ddc 572.744 (DDC23 WebDewey) eng
dc.subject.ddc 003.72 (DDC23 WebDewey) eng
dc.title A geometry-based generic predictor for catalytic and allosteric sites eng
dc.type Journal article eng
dc.type Peer reviewed eng
dc.rights.holder Copyright the Author 2010. Published by Oxford University Press. All rights reserved.
dc.type.version acceptedVersion eng
bora.peerreviewed Peer reviewed eng
bibo.eissn 1741-0134 eng
bibo.doi eng

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