Role of conformational dynamics in the evolution of novel enzyme function
dc.contributor.author
dc.date.accessioned
2018-05-16T07:28:37Z
dc.date.available
2018-05-16T07:28:37Z
dc.date.issued
2018-05-14
dc.identifier.issn
1359-7345
dc.identifier.uri
dc.description.abstract
The free energy landscape concept that describes enzymes as an ensemble of differently populated conformational sub-states in dynamic equilibrium is key for evaluating the enzyme activity, enantioselectivity, and specificity. Mutations introduced in the enzyme sequence can alter the populations of the pre-existing conformational states, thus strongly modifying the enzyme ability to accommodate alternative substrates, revert its enantiopreferences, and even increase the activity for some residual promiscuous reactions. In this feature article, we present an overview of the current experimental and computational strategies to explore the conformational free energy landscape of enzymes. We provide a series of recent publications that highlight the key role of conformational dynamics for the enzyme evolution towards new functions and substrates, and provide some perspectives on how conformational dynamism should be considered in future computational enzyme design protocols
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry (RSC)
dc.relation
info:eu-repo/grantAgreement/MINECO//CTQ2014-59212-P/ES/SPIN STATE AND ENZYMATIC CATALYSIS BASED ON BOTTOM-UP COMPUTATIONAL DESIGN/
dc.relation.isformatof
Reproducció digital del document publicat a: https://doi.org/10.1039/C8CC02426J
dc.relation.ispartof
Chemical Communications, 2018, vol.54, núm. 50, p. 6622-6634
dc.relation.ispartofseries
Articles publicats (D-Q)
dc.rights
Reconeixement-NoComercial 3.0 Espanya
dc.rights.uri
dc.subject
dc.title
Role of conformational dynamics in the evolution of novel enzyme function
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.relation.projectID
info:eu-repo/grantAgreement/EC/H2020/753045/EU/COMPUTATIONAL EVOLUTION OF ENZYME VARIANTS THROUGH CONFORMATIONAL NETWORKS/EnzVolNet
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.contributor.funder
dc.type.peerreviewed
peer-reviewed
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1364-548X