title: Ready to use bioinformatics analysis as a tool to predict immobilisation strategies for protein direct electron transfer (DET).
abstract: Direct electron transfer (DET) to proteins is of considerable interest for the development of biosensors and bioelectrocatalysts. While protein structure is mainly used as a method of attaching the protein to the electrode surface, we employed bioinformatics analysis to predict the suitable orientation of the enzymes to promote DET. Structure similarity and secondary structure prediction were combined underlying localized amino-acids able to direct one of the enzyme's electron relays toward the electrode surface by creating a suitable bioelectrocatalytic nanostructure. The electro-polymerization of pyrene pyrrole onto a fluorine-doped tin oxide (FTO) electrode allowed the targeted orientation of the formate dehydrogenase enzyme from Rhodobacter capsulatus (RcFDH) by means of hydrophobic interactions. Its electron relays were directed to the FTO surface, thus promoting DET. The reduction of nicotinamide adenine dinucleotide (NAD(+)) generating a maximum current density of 1μAcm(-2) with 10mM NAD(+) leads to a turnover number of 0.09electron/s/molRcFDH. This work represents a practical approach to evaluate electrode surface modification strategies in order to create valuable bioelectrocatalysts.
authors.affiliation: Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, 14476 Potsdam (Golm), Germany. Electronic address: remi.cazelles@mpikg.mpg.de.
authors.forename: R
authors.initials: R
authors.lastname: Cazelles
authors.affiliation: Univ. Grenoble Alpes, CNRS, DCM UMR 5250, F-38000 Grenoble, France.
authors.forename: N
authors.initials: N
authors.lastname: Lalaoui
authors.affiliation: Department of Molecular Enzymology, Institute for Biochemistry and Biology, University of Potsdam, Karl-Liebknecht-Str. 24-25, 14476 Potsdam (Golm), Germany.
authors.forename: T
authors.initials: T
authors.lastname: Hartmann
authors.affiliation: Department of Molecular Enzymology, Institute for Biochemistry and Biology, University of Potsdam, Karl-Liebknecht-Str. 24-25, 14476 Potsdam (Golm), Germany.
authors.forename: S
authors.initials: S
authors.lastname: Leimkühler
authors.affiliation: Department of Molecular Enzymology, Institute for Biochemistry and Biology, University of Potsdam, Karl-Liebknecht-Str. 24-25, 14476 Potsdam (Golm), Germany.
authors.forename: U
authors.initials: U
authors.lastname: Wollenberger
authors.affiliation: Max Planck Institute of Colloids and Interfaces, Am Mühlenberg 1, 14476 Potsdam (Golm), Germany.
authors.forename: M
authors.initials: M
authors.lastname: Antonietti
authors.affiliation: Univ. Grenoble Alpes, CNRS, DCM UMR 5250, F-38000 Grenoble, France.
authors.forename: S
authors.initials: S
authors.lastname: Cosnier
mesh_terms: D015374:Biosensing Techniques / Q000295:instrumentation* / Q000379:methods; D002384:Catalysis; D019295:Computational Biology; D055664:Electrochemical Techniques / Q000295:instrumentation* / Q000379:methods; D004566:Electrodes; D004579:Electron Transport; D004800:Enzymes, Immobilized / Q000737:chemistry / Q000378:metabolism*; D004867:Equipment Design; D005560:Formate Dehydrogenases / Q000737:chemistry / Q000378:metabolism*; D054879:Halogenation; D009243:NAD / Q000378:metabolism*; D010084:Oxidation-Reduction; D058105:Polymerization; D011758:Pyrroles / Q000737:chemistry; D016354:Rhodobacter capsulatus / Q000201:enzymology*; D013499:Surface Properties; D017971:Tin Compounds / Q000737:chemistry
chemical_list: D004800:Enzymes, Immobilized; D011758:Pyrroles; D017971:Tin Compounds; D009243:NAD; D005560:Formate Dehydrogenases; C045358:stannic oxide
keywords: Bioelectrocatalysis; Bioinformatic; Dehydrogenase; Electron transfer; Nicotinamide