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Showing 1 to 6 of 6 for “"HYSCORE"”.
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A combined EMR and DFT study of radiation-induced defects in sucrose and glucose 1-phosphate
… (EMR) measurements (EPR, ENDOR, HYSCORE, …) and theoretical ab-initio calculations based on density functional theory (DFT). Essentially, radical structures are identified and scrutinized by comparing DFT-calculated and experimentally determined EMR parameters. These are the main …
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Structure, function and inhibition of GcpE, FPPS and GGPPS: targeting isoprenoid biosynthesis for drug discovery
… catalysis, just as in the bacterial systems. EPR/HYSCORE spectra of reaction intermediate, product and inhibitor ligands bound to both two and three domain proteins are identical, indicating the same local electronic structure, and computational docking indicates these ligands bridge both A and B …
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ISPH fusion proteins, ISPH inhibition, and bisphosphonate mechanism of action
… and hyperfine sublevel correlation spectroscopy (HYSCORE), along with the examination of numerous IspH and IspG structures revealed the importance of η1 σ-bonding of ligands to the fourth Fe in the 4Fe-4S cluster. Additionally, a virtual screening campaign was carried out by collaborators at the …
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Investigating the role of secondary coordination sphere in designed metalloenzymes and engineering protein interactions for enhanced electron transfer
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2024-05-01
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The Binding Pockets of QA and QB in the Photosynthetic Reaction Center of Rba. sphaeroides Probed by Pulsed EPR
The bacteria Rhodobacter sphaeroides uses photosynthetic reaction centers to convert light into chemical energy. Light absorption by the reaction center results in electron transfer through a series of cofactors, the final two are identical ubiquinones (QA and QB). Both ubiquinones can be …
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Biochemical characterization of a-type heme-copper oxidases in escherichia coli, bacillus subtilis and thermus thermophilus
Heme-copper oxidases (HCOs) couple the free energy of oxygen reduction and translocate protons across membrane to generate a proton electrochemical gradient, which was used to produce ATP by ATP synthase. Based on the sequences and structures of core subunits, they are classified into 3 types. …