A thorough anion-π interaction study in biomolecules: on the importance of cooperativity effects

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dc.contributor.author Lucas, Xavier
dc.contributor.author Bauzá Riera, Antonio
dc.contributor.author Frontera Beccaria, Antonio
dc.contributor.author Quiñonero Santiago, David
dc.date.accessioned 2016-02-02T10:12:11Z
dc.date.available 2016-02-02T10:12:11Z
dc.date.issued 2015-06-05
dc.identifier.citation 2041-6520
dc.identifier.uri http://hdl.handle.net/11201/1766
dc.description.abstract Noncovalent interactions have a constitutive role in the science of intermolecular relationships, particularly those involving aromatic rings such as π-π and cation-π. In recent years, anion-π contact has also been recognized as a noncovalent bonding interaction with important implications in chemical processes. Yet, its involvement in biological processes has been scarcely reported. Herein we present a large-scale PDB analysis of the occurrence of anion-π interactions in proteins and nucleic acids. In addition we have gone a step further by considering the existence of cooperativity effects through the inclusion of a second noncovalent interaction, i.e. π-stacking, T-shaped, or cation-π interactions to form anion-π-π and anion-π-cation triads. The statistical analysis of the thousands of identified interactions reveals striking selectivities and subtle cooperativity effects among the anions, π-systems, and cations in a biological context. The reported results stress the importance of anion-π interactions and the cooperativity that arises from ternary contacts in key biological processes, such as protein folding and function and nucleic acids-protein and protein-protein recognition. We include examples of anion-π interactions and triads putatively involved in enzymatic catalysis, epigenetic gene regulation, antigen-antibody recognition, and protein dimerization.
dc.language.iso eng
dc.publisher Royal Society of Chemistry
dc.relation.isformatof Reproducció del document publicat a: http://dx.doi.org/10.1039/C5SC01386K
dc.relation.ispartof Chemical Science, 2015, vol. 2016, num. 7, p. 1038-1050
dc.rights cc-by (c) Lucas, Xavier et al., 2015
dc.rights.uri http://creativecommons.org/licenses/by/3.0/es
dc.subject.classification Química
dc.subject.other Chemistry
dc.title A thorough anion-π interaction study in biomolecules: on the importance of cooperativity effects
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/publishedVersion
dc.date.updated 2016-02-02T10:12:11Z
dc.rights.accessRights info:eu-repo/semantics/openAccess
dc.identifier.doi http://dx.doi.org/10.1039/C5SC01386K

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