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DFT Calculations for Intermediate and Active States of the Diiron Center with Tryptophan or Tyrosine Radical in Escherichia coli Ribonucleotide Reductase
Class Ia ribonucleotide reductase (RNR) subunit R2 contains a diiron active site. In this paper, active site models for the intermediate X-Trp48(+·) and X-Tyr122(·), the active Fe(III)Fe(III)-Tyr122(·), and the met Fe(III)Fe(III) states of E. coli R2 are studied, using broken-symmetry density functi...
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| Auteurs principaux: | , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2011
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3059405/ https://ncbi.nlm.nih.gov/pubmed/21322584 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic1020127 |
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