Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine-Reference-Cited by-同舟云学术

Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine

Published:2018 Issue:10 Volume:9 Page:2655-2665
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Kumar Kiran¹²³⁴^ORCID,Woo Shin M.¹²³⁴,Siu Thomas¹²³⁴,Cortopassi Wilian A.¹²³⁴,Duarte Fernanda⁵⁶⁷⁴^ORCID,Paton Robert S.¹²³⁴^ORCID

Affiliation:

1. Chemistry Research Laboratory

2. University of Oxford

3. Oxford OX1 3TA

4. UK

5. EaStCHEM School of Chemistry

6. University of Edinburgh

7. Edinburgh EH9 3FJ

Abstract

The interactions of neutral aromatic ligands with cationic arginine, histidine and lysine amino acid residues have been studied with ab initio calculations, symmetry adapted perturbation theory (SAPT), and a systematic meta-analysis of X-ray structures.

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2018/SC/C7SC04905F

Reference76 articles.

1. Cation-π Interactions Involving Aromatic Amino Acids

2. The Cation−π Interaction

3. Cation−π Interaction: Its Role and Relevance in Chemistry, Biology, and Material Science