Active site
The mechanisms of substrates interaction with the active site of Mycobacterium tuberculosis tyrosyl-tRNA synthetase studied by molecular dynamics simulations
... the active site of Mycobacterium tuberculosis tyro- syl-tRNA synthetase ...MtTyrRS active center, which were stable in the course of MD ...the active site both by hydrogen bonds and via ...
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Mechanistic pathways of mercury removal from the organomercurial lyase active site
... its removal from the mercury coordination sphere, followed by a slower attack of a second thiol, which removes Cys96 (activation ΔH = 16–18 kcal mol − 1 ). Entropic effects, which we could not analyze due to the need of ...
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Active site loop conformation regulates promiscuous activity in a lactonase from Geobacillus kaustophilus HTA426.
... the active site of PTEs is conserved, while at the same position in PLLs a Tyr has been ...the active site ...binding site for the putative leaving group is lined with a series of very ...
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The active site of a carbohydrate esterase displays divergent catalytic and noncatalytic binding functions.
... Throughout plant cell-wall–degrading systems, noncata- lytic binding to polysaccharides by enzymes that attack insoluble substrates is primarily conferred by CBMs that are linked to, but spatially distinct from, the ...
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Differential active site loop conformations mediate promiscuous activities in the lactonase SsoPox.
... the active site cavity (Figure S7) and, for some variants a slight re-orientation of the protein homodimer (Figure ...the active site loop 8 flexibility (Figure ...
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Closure of the human TKFC active site: comparison of the apoenzyme and the complexes formed with either triokinase or FMN cyclase substrates
... towards active- site closure and to analyze whether substrate binding could influence protein domain ...of active-site closure through distance measurements between proper reference points in ...
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Carbinolamine formation and dehydration in a DNA repair enzyme active site.
... abasic site ring–opened deoxyribose aldehyde and the catalytic active site ...substrate site and E-abasic site designate, respectively, Michaelis complexes for the glycosylase and ...
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Can Crystal Symmetry and Packing Influence the Active Site Conformation of Homohexameric Purine Nucleoside Phosphorylases?
... contacts, all distances between protein atoms (excluding waters) from different monomers shorter than 3.5 Å were counted. More specifically, the script could narrow down this list of contacts taking into account any ...
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Modeling the coordination of phosphate to the active site of purple acid phosphatases.
... A partir da compara- ção das propriedades do complexo modelo, 3, com as PAPs e PAPs-fosfato, podemos especular que a função da forma oxida- da das fosfatases ácidas púrpuras seria a de f[r] ...
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Cathepsin X is secreted by human osteoblasts, digests CXCL-12 and impairs adhesion of hematopoietic stem and progenitor cells to osteoblasts
... Figure 2. Active site labeling identifies cathepsin X in conditioned cell culture supernatants. (A) DCG-04 was used to identify secreted cysteine cathepsins in cell culture supernatants of primary ...
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Dynamic allostery in the methionine repressor revealed by force distribution analysis.
... Many fundamental cellular processes such as gene expression are tightly regulated by protein allostery. Allosteric signal propagation from the regulatory to the active site requires long-range ...
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Structural basis of cytotoxicity mediated by the type III secretion toxin ExoU from Pseudomonas aeruginosa.
... PM [39]. Our structure reveals that Lys178 is located within the catalytic domain, on the same side of the molecule as both the active site and the membrane-binding domain (Figures 3a and 3b). Following the ...
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Resistance to inhibitors of the human immunodeficiency virus type 1 integration
... Integrase strand transfer inhibitors or InSTIs have minimal ef- fects on either the assembly of the integrase DNA complex or the 3’ end processing reaction. Their selective effect on the strand transfer reaction is a ...
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The hepatitis B virus ribonuclease H is sensitive to inhibitors of the human immunodeficiency virus ribonuclease H and integrase enzymes.
... very active target of ongoing antiviral drug discovery [38,59–78], but to our knowledge none of the anti-HIV RNAseH compounds have entered clinical trials ...inhibitors, active site metal binders, ...
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Functional mapping of human dynamin-1-like GTPase domain based on x-ray structure analyses.
... Our study provides a mutational and kinetic analysis of GTP recognizing and hydrolyzing residues in DNM1L, which were identified in the nucleotide-free and GMP-PNP crystal structures. These findings are summarized in a ...
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J. Braz. Chem. Soc. vol.22 número10
... Carbocations act in different ways when interacting with aromatic rings. It is interesting that in terpene biosynthesis, the carbocationic intermediates do not alkylate the aromatic side chain of the amino acids present ...
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Common hydrogen bond interactions in diverse phosphoryl transfer active sites.
... interactions in G proteins and related enzymes [2,4,5,6,20,25,28,30,31,32]. This section examines if such inter- actions could (also) affect nucleotide stereoelectronics in light of its recently appreciated importance in ...
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In silico Analysis of Compounds from Stemona tuberosa as an Inhibitor for N1 Neuraminidase of H5N1 Avian Virus
... The worldwide spread of H5N1 avian influenza has raised concerns that this virus might acquire the ability to pass readily among humans and cause a pandemic.Two anti-influenza drugs currently being used to treat the ...
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Functional motions of Candida antarctica lipase B: a survey through open-close conformations.
... Candida antarctica lipase B (CALB) belongs to psychrophilic lipases which hydrolyze carboxyl ester bonds at low temperatures. There have been some features reported about cold-activity of the enzyme through experimental ...
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Segmental helical motions and dynamical asymmetry modulate histidine kinase autophosphorylation.
... the active site formed by the second, mobile CA domain is poised for catalysis in three independent structures crystallized in two distinct crystal forms (trigonal and hexagonal space groups, Table 1), with ...
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