New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F12%3A00384206" target="_blank" >RIV/61388963:_____/12:00384206 - isvavai.cz</a>

Result on the web

<a href="http://dx.doi.org/10.1039/c2cp41261f" target="_blank" >http://dx.doi.org/10.1039/c2cp41261f</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/c2cp41261f" target="_blank" >10.1039/c2cp41261f</a>

Result language

angličtina

Original language name

New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses

Original language description

Flavohemoglobins (FlavoHb) are metalloenzymes catalyzing the reaction of nitric oxide dioxygenation. The iron cation of the heme group needs to be preliminarily reduced to the ferrous state to be catalytically competent. This reduction is triggered by aflavin adenine dinucleotide (FAD) prosthetic group which is localized in a distinct domain of the protein. In this paper we obtain new insights into the internal long range electron transfer (over ca. 12 angstrom) using a combination of experimental andcomputational approaches. Employing a time-resolved pulse radiolysis technique we report the first direct measurement of the FADH(center dot) -> HemeFe(III) electron transfer rate. A rate constant of (6.8 +/- 0.5) x 10(3) s(-1) is found. A large panel ofcomputational approaches are used to provide the first estimation of the thermodynamic characteristics of the internal electron transfer step within flavoHb: both the driving force and the reorganization energy are estimated as a functio

Czech name

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Czech description

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Type

J_x - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

CEP classification

CF - Physical chemistry and theoretical chemistry

OECD FORD branch

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Project

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Continuities

Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2012

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

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Volume of the periodical

14

Issue of the periodical within the volume

40

Country of publishing house

GB - UNITED KINGDOM

Number of pages

9

Pages from-to

13872-13880

UT code for WoS article

000309140400018

EID of the result in the Scopus database

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