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The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed

Title data

Di Savino, Antonella ; Förster, Johannes ; Ullmann, G. Matthias ; Ubbink, Marcellus:
The Charge Distribution on a Protein Surface Determines Whether Productive or Futile Encounter Complexes Are Formed.
In: Biochemistry. (2021) .
ISSN 1520-4995
DOI: https://doi.org/10.1021/acs.biochem.1c00021

Project information

Project title:
Project's official titleProject's id
SFB 1357 MikroplastikSFB1357

Project financing: Deutsche Forschungsgemeinschaft
ENB Biological Physics

Abstract in another language

Protein complex formation depends strongly on electrostatic interactions. The distribution of charges on the surface of redox proteins is often optimized by evolution to guide recognition and binding. To test the degree to which the electrostatic interactions between cytochrome c peroxidase (CcP) and cytochrome c (Cc) are optimized, we produced five CcP variants, each with a different charge distribution on the surface. Monte Carlo simulations show that the addition of negative charges attracts Cc to the new patches, and the neutralization of the charges in the regular, stereospecific binding site for Cc abolishes the electrostatic interactions in that region entirely. For CcP variants with the charges in the regular binding site intact, additional negative patches slightly enhance productive complex formation, despite disrupting the optimized charge distribution. Removal of the charges in the regular binding site results in a dramatic decrease in the complex formation rate, even in the presence of highly negative patches elsewhere on the surface. We conclude that additional charge patches can result in either productive or futile encounter complexes, depending on whether negative residues are located also in the regular binding site.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: Kinetic parameters; Genetics; Ionic strength; Molecular mechanics; Screening assays
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Professor Bioinformatics/Structural Biology
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Professor Bioinformatics/Structural Biology > Professor Bioinformatics/Structural Biology - Univ.-Prof. Dr. Matthias Ullmann
Profile Fields
Profile Fields > Advanced Fields
Profile Fields > Advanced Fields > Polymer and Colloid Science
Profile Fields > Advanced Fields > Molecular Biosciences
Research Institutions > Collaborative Research Centers, Research Unit > SFB 1357 - MIKROPLASTIK
Graduate Schools > Elite Network Bavaria
Graduate Schools > Elite Network Bavaria > Biological Physics
Result of work at the UBT: Yes
DDC Subjects: 500 Science > 500 Natural sciences
500 Science > 540 Chemistry
500 Science > 570 Life sciences, biology
Date Deposited: 11 Mar 2021 06:39
Last Modified: 11 Mar 2021 06:39
URI: https://eref.uni-bayreuth.de/id/eprint/63746