Binding of vanadium ions and complexes to proteins and enzymes in aqueous solution

JC Pessoa, MFA Santos, I Correia, D Sanna… - Coordination Chemistry …, 2021 - Elsevier
The understanding of the role of vanadium enzymes and of vanadium compounds (VCs) in
biology, as well as the design of new vanadium-based species for catalysis, materials …

Integrated experimental/computational approaches to characterize the systems formed by vanadium with proteins and enzymes

G Sciortino, JD Maréchal, E Garribba - Inorganic Chemistry Frontiers, 2021 - pubs.rsc.org
Decoding the interactions of transition metal complexes with proteins is still an open
challenge in many fields, like biology and medicinal chemistry, or in the design of de novo …

Mechanistic insights into substrate positioning that distinguish non-heme Fe (II)/α-ketoglutarate-dependent halogenases and hydroxylases

DW Kastner, A Nandy, R Mehmood, HJ Kulik - ACS Catalysis, 2023 - ACS Publications
Non-heme iron halogenases and hydroxylases activate inert C–H bonds to selectively
catalyze the functionalization of diverse biological products under physiological conditions …

Sulfoquinovose is a widespread organosulfur substrate for Roseobacter clade bacteria in the ocean

L Liu, X Chen, J Ye, X Ma, Y Han, Y He… - The ISME …, 2023 - academic.oup.com
Sulfoquinovose (SQ) is one of the most abundant organosulfur compounds in the biosphere,
and its biosynthesis and degradation can represent an important contribution to the sulfur …

Molecular insights into the endoperoxide formation by Fe (II)/α-KG-dependent oxygenase NvfI

T Mori, R Zhai, R Ushimaru, Y Matsuda, I Abe - Nature Communications, 2021 - nature.com
Endoperoxide-containing natural products are a group of compounds with structurally
unique cyclized peroxide moieties. Although numerous endoperoxide-containing …

Epoxidation catalyzed by the nonheme iron (II)-and 2-oxoglutarate-dependent oxygenase, AsqJ: Mechanistic elucidation of oxygen atom transfer by a ferryl …

J Li, HJ Liao, Y Tang, JL Huang, L Cha… - Journal of the …, 2020 - ACS Publications
Mechanisms of enzymatic epoxidation via oxygen atom transfer (OAT) to an olefin moiety is
mainly derived from the studies on thiolate-heme containing epoxidases, such as …

Optimized Substrate Positioning Enables Switches in the C–H Cleavage Site and Reaction Outcome in the Hydroxylation–Epoxidation Sequence Catalyzed by …

ES Wenger, RJ Martinie, R Ushimaru… - Journal of the …, 2024 - ACS Publications
Hyoscyamine 6β-hydroxylase (H6H) is an iron (II)-and 2-oxoglutarate-dependent (Fe/2OG)
oxygenase that produces the prolifically administered antinausea drug, scopolamine. After …

Role of secondary coordination sphere residues in halogenation catalysis of non-heme iron enzymes

RH Wilson, S Chatterjee, ER Smithwick… - ACS …, 2022 - ACS Publications
Chemo-and regio-selective catalysis of the C (sp3)-H halogenation reaction is a formidable
goal in chemical synthesis. 2-Oxoglutarate (2OG)-dependent non-heme iron halogenases …

Nuclear Resonance Vibrational Spectroscopic Definition of the Facial Triad FeIV═O Intermediate in Taurine Dioxygenase: Evaluation of Structural Contributions to …

M Srnec, SR Iyer, LMK Dassama, K Park… - Journal of the …, 2020 - ACS Publications
The α-ketoglutarate (αKG)-dependent oxygenases catalyze a diverse range of chemical
reactions using a common high-spin FeIV═ O intermediate that, in most reactions, abstract a …

How Do Differences in Electronic Structure Affect the Use of Vanadium Intermediates as Mimics in Nonheme Iron Hydroxylases?

V Vennelakanti, M Jeon, HJ Kulik - Inorganic Chemistry, 2024 - ACS Publications
We study active-site models of nonheme iron hydroxylases and their vanadium-based
mimics using density functional theory to determine if vanadyl is a faithful structural mimic …