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Flexible active-site loops fine-tune substrate specificity of hyperthermophilic metallo-oxidases
Hyperthermophilic (‘superheat-loving’) archaea found in high-temperature environments such as Pyrobaculum aerophilum contain multicopper oxidases...
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Enzyme-substrate hybrid β-sheet controls geometry and water access to the γ-secretase active site
γ-Secretase is an aspartyl intramembrane protease that cleaves the amyloid precursor protein (APP) involved in Alzheimer’s disease pathology and...
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Divulging the anti-acetylcholinesterase activity of Colletotrichum lentis strain KU1 extract as sustainable AChE active site inhibitors
Alzheimer’s disease (AD), also called senile dementia is a neurodegenerative disease seen commonly in the elderly and is characterised by the...
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An Atomic Level Investigation of Sodium Ions Regulating Agonist and Antagonist Binding in the Active Site of a Novel Target 5HT2BR Against Drug-Resistant Epilepsy
The study investigates the movement of sodium ions inside the ligand-binding pocket of the class-A GPCR serotonin receptor (5HT 2B R), a primary target...
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O-Acetylhomoserine Sulfhydrylase from Clostridioides difficile: Role of Tyrosine Residues in the Active Site
AbstractO -acetylhomoserine sulfhydrylase is one of the key enzymes in biosynthesis of methionine in Clostridioides difficile . The mechanism of...
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Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip
To correctly aminoacylate tRNA Leu , leucyl-tRNA synthetase (LeuRS) catalyzes three reactions: activation of leucine by ATP to form leucyl-adenylate...
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Deciphering the roles of subcellular distribution and interactions involving the MEF2 binding region, the ankyrin repeat binding motif and the catalytic site of HDAC4 in Drosophila neuronal morphogenesis
BackgroundDysregulation of nucleocytoplasmic shuttling of histone deacetylase 4 (HDAC4) is associated with several neurodevelopmental and...
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The high mutation rate at the D614G hotspot-furin cleavage site region increases the priming efficiency of the Spike protein by furin protease: analysis of Indonesian SARS-CoV-2 G614 variants obtained during the early COVID-19 pandemic
D614G mutation plays a significant role in the transmissibility of SARS-CoV-2. Identification of other mutations related to D614G mutation within the...
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Cyanide replaces substrate in obligate-ordered addition of nitric oxide to the non-heme mononuclear iron AvMDO active site
Thiol dioxygenases are a subset of non-heme mononuclear iron oxygenases that catalyze the O 2 -dependent oxidation of thiol-bearing substrates to yield...
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Inverted region in the reaction of the quinone reduction in the A1-site of photosystem I from cyanobacteria
Photosystem I from the menB strain of Synechocystis sp. PCC 6803 containing foreign quinones in the A 1 sites was used for studying the primary steps...
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Develo** Active Site Models of ODCase—from Large Quantum Models to a QM/MM Approach
The catalytic mechanism of orotidine monophosphate decarboxylase (ODCase) has been modeled using density functional theory with the B3LYP functional....
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The active site of magnesium chelatase
The insertion of magnesium into protoporphyrin initiates the biosynthesis of chlorophyll, the pigment that underpins photosynthesis. This reaction,...
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Rational Design and Construction of Active-Site Labeled Enzymes
With a growing amount of structural information of proteins, deciphering the linkage between the structure and function of these proteins is the next...
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Comparative analysis of prokaryotic microbiomes in high-altitude active layer soils: insights from Ladakh and global analogues using In-Silico approaches
The active layer is the portion of soil overlaying the permafrost that freezes and thaws seasonally. It is a harsh habitat in which a varied and...
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Site-directed mutagenesis identified the key active site residues of alcohol acyltransferase PpAAT1 responsible for aroma biosynthesis in peach fruits
The aroma of peach fruit is predominantly determined by the accumulation of γ-decalactone and ester compounds. A previous study showed that the...
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A new glimpse on the active site of SARS-CoV-2 3CLpro, coupled with drug repurposing study
AbstractCoronavirus disease 2019 (COVID-19) is caused by novel severe acute respiratory syndrome coronavirus (SARS-CoV-2). Its main protease, 3C-like...
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A carboxy-terminal ubiquitylation site regulates androgen receptor activity
Degradation of unliganded androgen receptor (AR) in prostate cancer cells can be prevented by proteasome inhibition, but this is associated with only...
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Phosphatidylglyerol Lipid Binding at the Active Site of an Intramembrane Protease
Transmembrane substrate cleavage by the small Escherichia coli rhomboid protease GlpG informs on mechanisms by which lipid interactions shape...
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Identification of transcriptionally active transposons in Barley
BackgroundThe genomes of many major crops including barley ( Hordeum vulgare ) consist of numerous transposons. Despite their important roles in crop...
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Computational design of constitutively active cGAS
Cyclic GMP–AMP synthase (cGAS) is a pattern recognition receptor critical for the innate immune response to intracellular pathogens, DNA damage,...
