An Active Site Tyr Residue Guides the Regioselectivity of Lysine Hydroxylation by Nonheme Iron Lysine-4-hydroxylase Enzymes through Proton-Coupled Electron …

Y Cao, S Hay, SP de Visser - Journal of the American Chemical …, 2024 - ACS Publications
Lysine dioxygenase (KDO) is an important enzyme in human physiology involved in
bioprocesses that trigger collagen cross-linking and blood pressure control. There are …

Tutorial Review on the Set‐Up and Running of Quantum Mechanical Cluster Models for Enzymatic Reaction Mechanisms

SP de Visser, HPH Wong, Y Zhang… - … A European Journal, 2024 - Wiley Online Library
Enzymes turnover substrates into products with amazing efficiency and selectivity and as
such have great potential for use in biotechnology and pharmaceutical applications …

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 …

Catalytic divergencies in the mechanism of L-arginine hydroxylating nonheme iron enzymes

HS Ali, SP de Visser - Frontiers in Chemistry, 2024 - frontiersin.org
Many enzymes in nature utilize a free arginine (L-Arg) amino acid to initiate the biosynthesis
of natural products. Examples include nitric oxide synthases, which generate NO from L-Arg …

Conformational isomerization of the Fe (III)–OH species enables selective halogenation in carrier-protein-independent halogenase BesD and hydroxylase-evolved …

J Zhang, Y Li, W Yuan, X Zhang, Y Si, B Wang - Acs Catalysis, 2024 - ACS Publications
Despite extensive studies, how carrier-protein-independent BesD dictates the reaction
toward thermodynamically unfavored halogenation is still elusive. Here, we investigated the …

An iron (II)-based metalloradical system for intramolecular amination of C (sp 2)–H and C (sp 3)–H bonds: synthetic applications and mechanistic studies

SK Das, S Das, S Ghosh, S Roy, M Pareek, B Roy… - Chemical …, 2022 - pubs.rsc.org
A catalytic system for intramolecular C (sp2)–H and C (sp3)–H amination of substituted
tetrazolopyridines has been successfully developed. The amination reactions are developed …

The unique role of the second coordination sphere to unlock and control catalysis in nonheme Fe (II)/2-oxoglutarate histone demethylase KDM2A

MG Thomas, SB Jaber Sathik Rifayee… - Inorganic …, 2024 - ACS Publications
Nonheme Fe (II) and 2-oxoglutarate (2OG)-dependent histone lysine demethylases 2A
(KDM2A) catalyze the demethylation of the mono-or dimethylated lysine 36 residue in the …

Computational Exploration of Enzyme Promiscuity: Mechanisms of O2 and NO Reduction Activities of the Desulfovibrio gigas Flavodiiron Protein

WH Deng, TP Zhou, RZ Liao - ACS Catalysis, 2023 - ACS Publications
Flavodiiron proteins possess reductive scavenging properties toward dioxygen and/or nitric
oxide in various microorganisms. Among them, the Desulfovibrio gigas flavodiiron protein …

Computational study into the oxidative ring‐closure mechanism during the biosynthesis of deoxypodophyllotoxin

FG Hardy, HPH Wong… - Chemistry–A European …, 2024 - Wiley Online Library
The nonheme iron dioxygenase deoxypodophyllotoxin synthase performs an oxidative ring‐
closure reaction as part of natural product synthesis in plants. How the enzyme enables the …

Steric perturbation of the Grob-like final step of ethylene-forming enzyme enables 3-hydroxypropionate and propylene production

EJ Burke, RA Copeland, Y Dixit, C Krebs… - Journal of the …, 2024 - ACS Publications
Ethylene-forming enzyme (EFE) is an iron (II)-dependent dioxygenase that fragments 2-
oxoglutarate (2OG) to ethylene (from C3 and C4) and 3 equivs of carbon dioxide (from C1 …