Nuclear inelastic scattering at the diiron center of ribonucleotide reductase from Escherichia coli
| Autor: | Jennifer Marx, Rudolf Rüffer, Martin Högbom, K. Jenni, Hendrik Auerbach, Michael Haumann, Lena Scherthan, A. I. Chumakov, Volker Schünemann, Vivek Srinivas, Isabelle Faus |
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| Rok vydání: | 2017 |
| Předmět: |
Nuclear and High Energy Physics
Valence (chemistry) biology Protein subunit Iron oxide Protonation Inelastic scattering 010402 general chemistry Condensed Matter Physics 01 natural sciences Atomic and Molecular Physics and Optics Cofactor 0104 chemical sciences chemistry.chemical_compound Crystallography Ribonucleotide reductase chemistry 0103 physical sciences Mössbauer spectroscopy biology.protein Physical and Theoretical Chemistry 010306 general physics |
| Zdroj: | Hyperfine Interactions. 238 |
| ISSN: | 1572-9540 0304-3843 |
| DOI: | 10.1007/s10751-017-1452-4 |
| Popis: | The enzyme ribonucleotide reductase R2 catalyzes an important step in the synthesis of the building blocks of DNA, and harbors a dinuclear iron center required for activity. Not only the iron valence states but also the protonation of the iron ligands govern the enzymatic activity of the enzyme. We have performed Nuclear Inelastic Scattering (NIS) experiments on the 57Fe reconstituted ribonucleotide reductase R2 subunit from Escherichia coli (Ec R2a). Accompanying Mossbauer spectroscopic investigations show that the partial density of vibrational states (pDOS) of the 57Fe reconstituted Ec R2a sample contained contributions from both 57Fe-Ec R2a protein as well as unspecifically bound 57Fe. Subtraction of a featureless pDOS as obtained from protein-coated iron oxide particles allowed modeling of the contribution of non-specifically bound iron and thus the pDOS of 57Fe-Ec R2a could be obtained. Quantum-mechanics/molecular-mechanics (QM/MM) calculations of the whole 57Fe-Ec R2a protein with variations of the cofactor protonation were performed in order to assign characteristic bands to their corresponding molecular vibrational modes. |
| Databáze: | OpenAIRE |
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