Show simple item record

dc.contributor.authorWong, Aloysius Tze
dc.contributor.authorGehring, Christoph A
dc.contributor.authorIrving, Helen R.
dc.date.accessioned2015-06-22T14:05:41Z
dc.date.available2015-06-22T14:05:41Z
dc.date.issued2015-06-09
dc.identifier.citationConserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites 2015, 3 Frontiers in Bioengineering and Biotechnology
dc.identifier.issn2296-4185
dc.identifier.pmid26106597
dc.identifier.doi10.3389/fbioe.2015.00082
dc.identifier.urihttp://hdl.handle.net/10754/558418
dc.description.abstractMoonlighting functional centers within proteins can provide them with hitherto unrecognized functions. Here, we review how hidden moonlighting functional centers, which we define as binding sites that have catalytic activity or regulate protein function in a novel manner, can be identified using targeted bioinformatic searches. Functional motifs used in such searches include amino acid residues that are conserved across species and many of which have been assigned functional roles based on experimental evidence. Molecules that were identified in this manner seeking cyclic mononucleotide cyclases in plants are used as examples. The strength of this computational approach is enhanced when good homology models can be developed to test the functionality of the predicted centers in silico, which, in turn, increases confidence in the ability of the identified candidates to perform the predicted functions. Computational characterization of moonlighting functional centers is not diagnostic for catalysis but serves as a rapid screening method, and highlights testable targets from a potentially large pool of candidates for subsequent in vitro and in vivo experiments required to confirm the functionality of the predicted moonlighting centers.
dc.publisherFrontiers Media SA
dc.relation.urlhttp://www.frontiersin.org/Bioinformatics_and_Computational_Biology/10.3389/fbioe.2015.00082/abstract
dc.rightsThis is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
dc.subjectmoonlighting functional centers
dc.subjectguanylyl/adenylyl cyclase
dc.subjectH-NOX
dc.subjectsearch motifs
dc.subjecthomology modeling
dc.subjectmolecular docking
dc.titleConserved Functional Motifs and Homology Modeling to Predict Hidden Moonlighting Functional Sites
dc.typeArticle
dc.contributor.departmentBiological and Environmental Sciences and Engineering (BESE) Division
dc.contributor.departmentBioscience Program
dc.identifier.journalFrontiers in Bioengineering and Biotechnology
dc.eprint.versionPublisher's Version/PDF
dc.contributor.institutionMonash Institute of Pharmaceutical Sciences, Monash University, Melbourne, VIC, Australia
kaust.personWong, Aloysius Tze
kaust.personGehring, Christoph A.
refterms.dateFOA2018-06-13T12:58:41Z


Files in this item

Thumbnail
Name:
fbioe-03-00082.pdf
Size:
8.527Mb
Format:
PDF
Description:
Main article

This item appears in the following Collection(s)

Show simple item record