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Anion-pi interactions in active centers of superoxide dismutases

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2018
Anion-pi_interactions_acc_2018.pdf (1.404Mb)
Authors
Ribić, Vesna
Stojanović, Srđan
Zlatović, Mario
Article (Accepted Version)
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Abstract
We investigated 1060 possible anion-pi interactions in a data set of 41 superoxide dismutase active centers. Our observations indicate that majority of the aromatic residues are capable to form anion-pi interactions, mainly by long-range contacts, and that there is preference of Trp over other aromatic residues in these interactions. Furthermore, 68% of total predicted interactions in the dataset are multiple anion-pi interactions. Anion-pi interactions are distance and orientation dependent. We analyzed the energy contribution resulting from anion-pi interactions using ab initio calculations. The results showed that, while most of their interaction energies lay in the range from -0 to -4 kcal mol(-1), those energies can be up to -9 kcal mol(-1) and about 34% of interactions were found to be repulsive. Majority of the suggested anion-pi interacting residues in ternary complexes are metal-assisted. Stabilization centers for these proteins showed that all the six residues found in predic...ted anion-pi interactions are important in locating one or more of such centers. The anion-pi interacting residues in these proteins were found to be highly conserved. We hope that these studies might contribute useful information regarding structural stability and its interaction in future designs of novel metalloproteins. (C) 2017 Elsevier B.V. All rights reserved.

Keywords:
Anion-pi interactions / Superoxide dismutase / Proteins / Active centers / Interaction energy
Source:
International Journal of Biological Macromolecules, 2018, 106, 559-568
Publisher:
  • Elsevier Science Bv, Amsterdam
Projects:
  • The study of physicochemical and biochemical processes in living environment that have impacts on pollution and the investigation of possibilities for minimizing the consequences (RS-172001)
  • Interactions of natural products, their derivatives and coordination compounds with proteins and nucleic acids (RS-172055)
Note:
  • This is peer-reviewed version of the following article: Ribić, V. R.; Stojanović, S. Đ.; Zlatović, M. V. Anion–π Interactions in Active Centers of Superoxide Dismutases. International Journal of Biological Macromolecules 2018, 106, 559–568. https://doi.org/10.1016/j.ijbiomac.2017.08.050
  • Published version: http://cer.ihtm.bg.ac.rs/handle/123456789/2457

DOI: 10.1016/j.ijbiomac.2017.08.050

ISSN: 0141-8130

PubMed: 28811207

WoS: 000417661600063

Scopus: 2-s2.0-85028012582
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URI
http://cherry.chem.bg.ac.rs/handle/123456789/3151
http://cer.ihtm.bg.ac.rs/handle/123456789/3140
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