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

Content Provider	Royal Society of Chemistry (RSC)
Author	Quiñonero, David Lucas, Xavier Bauzá, Antonio Frontera, Antonio
Copyright Year	2016
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.
Starting Page	1038
Ending Page	1050
Page Count	13
File Format	HTM / HTML PDF
ISSN	20416520
Volume Number	7
Issue Number	2
Journal	Chemical Science
DOI	10.1039/c5sc01386k
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Subscribed
Subject Keyword	Gene Protein folding Epigenetics Cooperativity Protein Data Bank Non-covalent interactions Protein
Content Type	Text
Resource Type	Article
Subject	Chemistry

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