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Title: Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective

Extracellular electron transfer (EET) is intrinsically associated with the core phenomena of energy harvesting/energy conversion in natural ecosystems and biotechnology applications. But, the mechanisms associated with EET are complex and involve molecular interactions that take place at the “bionano interface” where biotic/abiotic interactions are usually explored. Our work provides molecular perspective on the electron transfer mechanism(s) employed by Shewanella oneidensis MR-1. Molecular docking simulations were used to explain the interfacial relationships between two outer-membrane cytochromes (OMC) OmcA and MtrC and riboflavin (RF) and flavin mononucleotide (FMN), respectively. OMC-flavin interactions were analyzed by studying the electrostatic potential, the hydrophilic/hydrophobic surface properties, and the van der Waals surface of the OMC proteins. As a result, it was proposed that the interactions between flavins and OMCs are based on geometrical recognition event. The possible docking positions of RF and FMN to OmcA and MtrC were also shown.
Authors:
 [1] ; ORCiD logo [2] ;  [1] ;  [3] ;  [4] ;  [5]
  1. Univ. of New Mexico, Albuquerque, NM (United States). Chemical and Biological Engineering Dept., Center for Micro-engineering Materials
  2. Univ. of New Mexico, Albuquerque, NM (United States). Chemical and Biological Engineering Dept., Center for Micro-engineering Materials; Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  3. J. Craig Venter Inst., San Diego, CA (United States)
  4. J. Craig Venter Inst., San Diego, CA (United States); Univ. of Southern California, Los Angeles, CA (United States). Dept. of Earth Sciences and Biological Sciences
  5. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Report Number(s):
LA-UR-15-29075
Journal ID: ISSN 1934-8630
Grant/Contract Number:
AC52-06NA25396
Type:
Accepted Manuscript
Journal Name:
Biointerphases
Additional Journal Information:
Journal Volume: 12; Journal Issue: 2; Journal ID: ISSN 1934-8630
Publisher:
American Institute of Physics (AIP)
Research Org:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; Biological Science; Energy Sciences; Material Science
OSTI Identifier:
1411338

Babanova, Sofia, Matanovic, Ivana, Cornejo, Jose, Bretschger, Orianna, Nealson, Kenneth, and Atanassov, Plamen. Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective. United States: N. p., Web. doi:10.1116/1.4984007.
Babanova, Sofia, Matanovic, Ivana, Cornejo, Jose, Bretschger, Orianna, Nealson, Kenneth, & Atanassov, Plamen. Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective. United States. doi:10.1116/1.4984007.
Babanova, Sofia, Matanovic, Ivana, Cornejo, Jose, Bretschger, Orianna, Nealson, Kenneth, and Atanassov, Plamen. 2017. "Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective". United States. doi:10.1116/1.4984007. https://www.osti.gov/servlets/purl/1411338.
@article{osti_1411338,
title = {Outer membrane cytochromes/flavin interactions in Shewanella spp.—A molecular perspective},
author = {Babanova, Sofia and Matanovic, Ivana and Cornejo, Jose and Bretschger, Orianna and Nealson, Kenneth and Atanassov, Plamen},
abstractNote = {Extracellular electron transfer (EET) is intrinsically associated with the core phenomena of energy harvesting/energy conversion in natural ecosystems and biotechnology applications. But, the mechanisms associated with EET are complex and involve molecular interactions that take place at the “bionano interface” where biotic/abiotic interactions are usually explored. Our work provides molecular perspective on the electron transfer mechanism(s) employed by Shewanella oneidensis MR-1. Molecular docking simulations were used to explain the interfacial relationships between two outer-membrane cytochromes (OMC) OmcA and MtrC and riboflavin (RF) and flavin mononucleotide (FMN), respectively. OMC-flavin interactions were analyzed by studying the electrostatic potential, the hydrophilic/hydrophobic surface properties, and the van der Waals surface of the OMC proteins. As a result, it was proposed that the interactions between flavins and OMCs are based on geometrical recognition event. The possible docking positions of RF and FMN to OmcA and MtrC were also shown.},
doi = {10.1116/1.4984007},
journal = {Biointerphases},
number = 2,
volume = 12,
place = {United States},
year = {2017},
month = {5}
}