Second‐coordination sphere effects on selectivity and specificity of heme and nonheme iron enzymes

SP de Visser - Chemistry–A European Journal, 2020 - Wiley Online Library
Mononuclear iron‐containing enzymes are highly versatile oxidants that often react
stereospecifically and/or regioselectively with substrates. Combined experimental and …

Negative catalysis/non-Bell-Evans-Polanyi reactivity by metalloenzymes: Examples from mononuclear heme and non-heme iron oxygenases

SP de Visser, YT Lin, HS Ali, UK Bagha… - Coordination Chemistry …, 2021 - Elsevier
There are many examples in bioinorganic chemistry, where metalloenzymes produce
different reaction products than analogous biomimetic model complexes despite them …

How Does the Nonheme Iron Enzyme NapI React through l-Arginine Desaturation Rather Than Hydroxylation? A Quantum Mechanics/Molecular Mechanics Study

HS Ali, J Warwicker, SP de Visser - ACS Catalysis, 2023 - ACS Publications
The naphthyridinomycin biosynthesis enzyme NapI selectively performs the desaturation of
a free l-arginine amino acid at the C4–C5 bond as part of its antibiotic biosynthesis reaction …

Enzymatic catalysis favours eight-membered over five-membered ring closure in bicyclomycin biosynthesis

JB He, L Wu, W Wei, S Meng, ZT Liu, X Wu, HX Pan… - Nature Catalysis, 2023 - nature.com
The construction of O-heterocycles is an important step in organic synthesis and
biosynthesis for producing valuable ring compounds. Although enzyme-catalysed five-or six …

Rational redesign of enzyme via the combination of quantum mechanics/molecular mechanics, molecular dynamics, and structural biology study

HY Lin, X Chen, J Dong, JF Yang, H **ao… - Journal of the …, 2021 - ACS Publications
Increasing demands for efficient and versatile chemical reactions have prompted
innovations in enzyme engineering. A major challenge in engineering α-ketoglutarate …

O2 Activation by Non-Heme Iron Enzymes

EI Solomon, S Goudarzi, KD Sutherlin - Biochemistry, 2016 - ACS Publications
The non-heme Fe enzymes are ubiquitous in nature and perform a wide range of functions
involving O2 activation. These had been difficult to study relative to heme enzymes; …

H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450

X Zhang, Y Jiang, Q Chen, S Dong, Y Feng… - ACS …, 2021 - ACS Publications
Understanding the molecular basis for controlled H2O2 activation is of fundamental
importance for peroxide-driven catalysis by metalloenzymes. In addition to O2 activation in …

Electrostatic perturbations in the substrate‐binding pocket of taurine/α‐ketoglutarate dioxygenase determine its selectivity

HS Ali, SP de Visser - Chemistry–A European Journal, 2022 - Wiley Online Library
Taurine/α‐ketoglutarate dioxygenase is an important enzyme that takes part in the cysteine
catabolism process in the human body and selectively hydroxylates taurine at the C1 …

Visualizing the reaction cycle in an iron (II)-and 2-(oxo)-glutarate-dependent hydroxylase

AJ Mitchell, NP Dunham, RJ Martinie… - Journal of the …, 2017 - ACS Publications
Iron (II)-and 2-(oxo)-glutarate-dependent oxygenases catalyze diverse oxidative
transformations that are often initiated by abstraction of hydrogen from carbon by iron (IV) …

Selective hydrogen atom abstraction from dihydroflavonol by a nonheme iron center is the key step in the enzymatic flavonol synthesis and avoids byproducts

S Ghafoor, A Mansha, SP de Visser - Journal of the American …, 2019 - ACS Publications
The plant non-heme iron dioxygenase flavonol synthase performs a regioselective
desaturation reaction as part of the biosynthesis of the signaling molecule flavonol that …