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Inversion of enantioselectivity of a mononuclear non-heme iron(II)-dependent hydroxylase by tuning the interplay of metal-center geometry and protein structure.

Pratter SM, Konstantinovics C, Di Giuro CM, Leitner E, Kumar D, de Visser SP, Grogan G, Straganz GD
Angew Chem Int Ed Engl 52 9677-81 (2013)
Cited: 23 times
EuropePMC logo PMID: 23881738

Reviews citing this publication (5)

  1. Computational tools for designing and engineering enzymes. Damborsky J, Brezovsky J. Curr Opin Chem Biol 19 8-16 (2014)
  2. Quantum Mechanics/Molecular Mechanics Modeling of Enzymatic Processes: Caveats and Breakthroughs. Quesne MG, Borowski T, de Visser SP. Chemistry 22 2562-2581 (2016)
  3. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes. de Visser SP, Quesne MG, Martin B, Comba P, Ryde U. Chem Commun (Camb) 50 262-282 (2014)
  4. Challenging Density Functional Theory Calculations with Hemes and Porphyrins. de Visser SP, Stillman MJ. Int J Mol Sci 17 519 (2016)
  5. Mechanistic Insight on the Activity and Substrate Selectivity of Nonheme Iron Dioxygenases. de Visser SP. Chem Rec 18 1501-1516 (2018)

Articles citing this publication (18)

  1. Comparison of the reactivity of nonheme iron(IV)-oxo versus iron(IV)-imido complexes: which is the better oxidant? Vardhaman AK, Barman P, Kumar S, Sastri CV, Kumar D, de Visser SP. Angew Chem Int Ed Engl 52 12288-12292 (2013)
  2. Rapid prototyping of microbial production strains for the biomanufacture of potential materials monomers. Robinson CJ, Carbonell P, Jervis AJ, Yan C, Hollywood KA, Dunstan MS, Currin A, Swainston N, Spiess R, Taylor S, Mulherin P, Parker S, Rowe W, Matthews NE, Malone KJ, Le Feuvre R, Shapira P, Barran P, Turner NJ, Micklefield J, Breitling R, Takano E, Scrutton NS. Metab Eng 60 168-182 (2020)
  3. A Systematic Account on Aromatic Hydroxylation by a Cytochrome P450 Model Compound I: A Low-Pressure Mass Spectrometry and Computational Study. Cantú Reinhard FG, Sainna MA, Upadhyay P, Balan GA, Kumar D, Fornarini S, Crestoni ME, de Visser SP. Chemistry 22 18608-18619 (2016)
  4. From "hemoabzymes" to "hemozymes": towards new biocatalysts for selective oxidations. Mahy JP, Maréchal JD, Ricoux R. Chem Commun (Camb) 51 2476-2494 (2015)
  5. Generation of amine dehydrogenases with increased catalytic performance and substrate scope from ε-deaminating L-Lysine dehydrogenase. Tseliou V, Knaus T, Masman MF, Corrado ML, Mutti FG. Nat Commun 10 3717 (2019)
  6. Cysteine protease inhibition by nitrile-based inhibitors: a computational study. Quesne MG, Ward RA, de Visser SP. Front Chem 1 39 (2013)
  7. Conversion of a non-heme iron-dependent sulfoxide synthase into a thiol dioxygenase by a single point mutation. Goncharenko KV, Seebeck FP. Chem Commun (Camb) 52 1945-1948 (2016)
  8. Editorial Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications. Hofer TS, de Visser SP. Front Chem 6 357 (2018)
  9. Does Substrate Positioning Affect the Selectivity and Reactivity in the Hectochlorin Biosynthesis Halogenase? Timmins A, Fowler NJ, Warwicker J, Straganz GD, de Visser SP. Front Chem 6 513 (2018)
  10. Status report on the quantum chemical cluster approach for modeling enzyme reactions. Himo F, de Visser SP. Commun Chem 5 29 (2022)
  11. How Are Substrate Binding and Catalysis Affected by Mutating Glu127 and Arg161 in Prolyl-4-hydroxylase? A QM/MM and MD Study. Timmins A, de Visser SP. Front Chem 5 94 (2017)
  12. Computation-Aided Engineering of Cytochrome P450 for the Production of Pravastatin. Ashworth MA, Bombino E, de Jong RM, Wijma HJ, Janssen DB, McLean KJ, Munro AW. ACS Catal 12 15028-15044 (2022)
  13. How Does Replacement of the Axial Histidine Ligand in Cytochrome c Peroxidase by Nδ-Methyl Histidine Affect Its Properties and Functions? A Computational Study. Lee CWZ, Mubarak MQE, Green AP, de Visser SP. Int J Mol Sci 21 E7133 (2020)
  14. Merging enzymatic and synthetic chemistry with computational synthesis planning. Levin I, Liu M, Voigt CA, Coley CW. Nat Commun 13 7747 (2022)
  15. Dioxygen activation and two consecutive oxidative decarboxylations of phenylpyruvate by nonheme iron(II) complexes: functional models of hydroxymandelate synthase (HMS) and CloR. Sheet D, Bhattacharya S, Paine TK. Chem Commun (Camb) 51 7681-7684 (2015)
  16. Quantum Mechanics/Molecular Mechanics Studies on the Relative Reactivities of Compound I and II in Cytochrome P450 Enzymes. Postils V, Saint-André M, Timmins A, Li XX, Wang Y, Luis JM, Solà M, de Visser SP. Int J Mol Sci 19 E1974 (2018)
  17. Alkyl Chain Growth on a Transition Metal Center: How Does Iron Compare to Ruthenium and Osmium? Sainna MA, de Visser SP. Int J Mol Sci 16 23369-23381 (2015)
  18. Evidence of a Distinctive Enantioselective Binding Mode for the Photoinduced Radical Cyclization of α-Chloroamides in Ene-Reductases. Capone M, Dell'Orletta G, Nicholls BT, Scholes GD, Hyster TK, Aschi M, Daidone I. ACS Catal 13 15310-15321 (2023)


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