EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis. (Q37845681)

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27 February 2020

title

EXAFS simulation refinement based on broken-symmetry DFT geometries for the Mn(IV)-Fe(III) center of class I RNR from Chlamydia trachomatis (English)

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27 February 2020

main subject

Chlamydia trachomatis

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author

Sandra Luber

1

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27 February 2020

Carmen Herrmann

3

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27 February 2020

author name string

Sophie Leung

2

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27 February 2020

Wenge Han Du

4

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27 February 2020

Louis Noodleman

5

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27 February 2020

Victor S Batista

6

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27 February 2020

language of work or name

English

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publication date

1 January 2014

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27 February 2020

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27 February 2020

volume

43

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27 February 2020

issue

2

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27 February 2020

page(s)

576-583

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Evidence That the β Subunit of Chlamydia trachomatis Ribonucleotide Reductase Is Active with the Manganese Ion of Its Manganese(IV)/Iron(III) Cofactor in Site 1

27 February 2020

cites work

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The manganese ion of the heterodinuclear Mn/Fe cofactor in Chlamydia trachomatis ribonucleotide reductase R2c is located at metal position 1.

6 September 2017

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Density functional theory analysis of structure, energetics, and spectroscopy for the Mn-Fe active site of Chlamydia trachomatis ribonucleotide reductase in four oxidation states

6 September 2017

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Structural Model Studies for the High-Valent Intermediate Q of Methane Monooxygenase from Broken-Symmetry Density Functional Calculations

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Density functional theory study of the manganese-containing ribonucleotide reductase from Chlamydia trachomatis: why manganese is needed in the active complex

6 September 2017

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Formation and function of the Manganese(IV)/Iron(III) cofactor in Chlamydia trachomatis ribonucleotide reductase

6 September 2017

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Structural analysis of the Mn(IV)/Fe(III) cofactor of Chlamydia trachomatis ribonucleotide reductase by extended X-ray absorption fine structure spectroscopy and density functional theory calculations

6 September 2017

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Branched activation- and catalysis-specific pathways for electron relay to the manganese/iron cofactor in ribonucleotide reductase from Chlamydia trachomatis

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The active form of Chlamydia trachomatis ribonucleotide reductase R2 protein contains a heterodinuclear Mn(IV)/Fe(III) cluster with S = 1 ground state

6 September 2017

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6 September 2017

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Seven clues to the origin and structure of class-I ribonucleotide reductase intermediate X.

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The radical site in chlamydial ribonucleotide reductase defines a new R2 subclass

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Displacement of the tyrosyl radical cofactor in ribonucleotide reductase obtained by single-crystal high-field EPR and 1.4-A x-ray data

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The three-dimensional structure of mammalian ribonucleotide reductase protein R2 reveals a more-accessible iron-radical site than Escherichia coli R2

6 September 2017

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Quantum cluster size and solvent polarity effects on the geometries and Mössbauer properties of the active site model for ribonucleotide reductase intermediate X: a density functional theory study

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1 September 2018

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Density functional theory study of Fe(IV) d-d optical transitions in active-site models of class I ribonucleotide reductase intermediate X with vertical self-consistent reaction field methods

1 September 2018

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Active site structure of class I ribonucleotide reductase intermediate X: a density functional theory analysis of structure, energetics, and spectroscopy

1 September 2018

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Rapid-freeze-quench magnetic circular dichroism of intermediate X in ribonucleotide reductase: new structural insight

1 September 2018

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A Density Functional Evaluation of an Fe(III)−Fe(IV) Model Diiron Cluster: Comparisons with Ribonucleotide Reductase Intermediate X

1 September 2018

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From RNA to DNA, why so many ribonucleotide reductases?

1 September 2018

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COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

1 September 2018

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Crossref

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Mechanism of Rapid Electron Transfer during Oxygen Activation in the R2 Subunit ofEscherichiacoliRibonucleotide Reductase. 1. Evidence for a Transient Tryptophan Radical

21 January 2018

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Crossref

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Mechanism of Rapid Electron Transfer during Oxygen Activation in the R2 Subunit ofEscherichiacoliRibonucleotide Reductase. 2. Evidence for and Consequences of Blocked Electron Transfer in the W48F Variant

21 January 2018

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Theoretical Model Studies of the Iron Dimer Complex of MMO and RNR

21 January 2018

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12 December 2020

Dioxygen Activation by Enzymes Containing Binuclear Non-Heme Iron Clusters

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12 December 2020

Ribonucleotide Reductase—a Radical Enzyme

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12 December 2020

Protein Radicals in Enzyme Catalysis

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12 December 2020

Identifiers

DOI

10.1039/C3DT51563J

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24129440 AND SRC:MED&resulttype=core&format=json

27 February 2020

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27 February 2020

PubMed publication ID

24129440

1 reference