FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2048639821> ?p ?o ?g. }

• W2048639821 endingPage "5949" @default.
• W2048639821 startingPage "5942" @default.
• W2048639821 abstract "To bind at an enzyme’s active site, a ligand must diffuse or be transported to the enzyme’s surface, and, if the binding site is buried, the ligand must diffuse through the protein to reach it. Although the driving force for ligand binding is often ascribed to the hydrophobic effect, electrostatic interactions also influence the binding process of both charged and nonpolar ligands. First, electrostatic steering of charged substrates into enzyme active sites is discussed. This is of particular relevance for diffusion-influenced enzymes. By comparing the results of Brownian dynamics simulations and electrostatic potential similarity analysis for triose-phosphate isomerases, superoxide dismutases, and β-lactamases from different species, we identify the conserved features responsible for the electrostatic substrate-steering fields. The conserved potentials are localized at the active sites and are the primary determinants of the bimolecular association rates. Then we focus on a more subtle effect, which we will refer to as “ionic tethering.” We explore, by means of molecular and Brownian dynamics simulations and electrostatic continuum calculations, how salt links can act as tethers between structural elements of an enzyme that undergo conformational change upon substrate binding, and thereby regulate or modulate substrate binding. This is illustrated for the lipase and cytochrome P450 enzymes. Ionic tethering can provide a control mechanism for substrate binding that is sensitive to the electrostatic properties of the enzyme’s surroundings even when the substrate is nonpolar." @default.
• W2048639821 created "2016-06-24" @default.
• W2048639821 creator A5005498993 @default.
• W2048639821 creator A5035601585 @default.
• W2048639821 creator A5078645623 @default.
• W2048639821 creator A5084206111 @default.
• W2048639821 date "1998-05-26" @default.
• W2048639821 modified "2023-10-15" @default.
• W2048639821 title "Electrostatic steering and ionic tethering in enzyme–ligand binding: Insights from simulations" @default.
• W2048639821 cites W1539711125 @default.
• W2048639821 cites W1849342794 @default.
• W2048639821 cites W1963854279 @default.
• W2048639821 cites W1964071661 @default.
• W2048639821 cites W1965303675 @default.
• W2048639821 cites W1967810228 @default.
• W2048639821 cites W1968963807 @default.
• W2048639821 cites W1969172212 @default.
• W2048639821 cites W1969461638 @default.
• W2048639821 cites W1969802703 @default.
• W2048639821 cites W1972724647 @default.
• W2048639821 cites W1974579447 @default.
• W2048639821 cites W1981574164 @default.
• W2048639821 cites W1983241230 @default.
• W2048639821 cites W1987036719 @default.
• W2048639821 cites W1987590451 @default.
• W2048639821 cites W1998208404 @default.
• W2048639821 cites W2001216227 @default.
• W2048639821 cites W2015039690 @default.
• W2048639821 cites W2015279243 @default.
• W2048639821 cites W2021594222 @default.
• W2048639821 cites W2026233309 @default.
• W2048639821 cites W2027304997 @default.
• W2048639821 cites W2029078760 @default.
• W2048639821 cites W2032937791 @default.
• W2048639821 cites W2034040237 @default.
• W2048639821 cites W2034523059 @default.
• W2048639821 cites W2035407823 @default.
• W2048639821 cites W2036414218 @default.
• W2048639821 cites W2036524595 @default.
• W2048639821 cites W2038996488 @default.
• W2048639821 cites W2040592121 @default.
• W2048639821 cites W2042197888 @default.
• W2048639821 cites W2042599527 @default.
• W2048639821 cites W2051555156 @default.
• W2048639821 cites W2060630730 @default.
• W2048639821 cites W2061498308 @default.
• W2048639821 cites W2062683863 @default.
• W2048639821 cites W2067431380 @default.
• W2048639821 cites W2072775413 @default.
• W2048639821 cites W2077141405 @default.
• W2048639821 cites W2081280346 @default.
• W2048639821 cites W2090069426 @default.
• W2048639821 cites W2092019850 @default.
• W2048639821 cites W2099446563 @default.
• W2048639821 cites W2100578005 @default.
• W2048639821 cites W2102032087 @default.
• W2048639821 cites W2106320506 @default.
• W2048639821 cites W2110116160 @default.
• W2048639821 cites W2128698802 @default.
• W2048639821 cites W2158552007 @default.
• W2048639821 cites W2158888718 @default.
• W2048639821 cites W2165827026 @default.
• W2048639821 cites W2194094130 @default.
• W2048639821 cites W2308826063 @default.
• W2048639821 cites W2413606505 @default.
• W2048639821 cites W4250275676 @default.
• W2048639821 doi "https://doi.org/10.1073/pnas.95.11.5942" @default.
• W2048639821 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/34177" @default.
• W2048639821 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/9600896" @default.
• W2048639821 hasPublicationYear "1998" @default.
• W2048639821 type Work @default.
• W2048639821 sameAs 2048639821 @default.
• W2048639821 citedByCount "177" @default.
• W2048639821 countsByYear W20486398212012 @default.
• W2048639821 countsByYear W20486398212013 @default.
• W2048639821 countsByYear W20486398212014 @default.
• W2048639821 countsByYear W20486398212015 @default.
• W2048639821 countsByYear W20486398212016 @default.
• W2048639821 countsByYear W20486398212017 @default.
• W2048639821 countsByYear W20486398212018 @default.
• W2048639821 countsByYear W20486398212019 @default.
• W2048639821 countsByYear W20486398212020 @default.
• W2048639821 countsByYear W20486398212021 @default.
• W2048639821 countsByYear W20486398212022 @default.
• W2048639821 countsByYear W20486398212023 @default.
• W2048639821 crossrefType "journal-article" @default.
• W2048639821 hasAuthorship W2048639821A5005498993 @default.
• W2048639821 hasAuthorship W2048639821A5035601585 @default.
• W2048639821 hasAuthorship W2048639821A5078645623 @default.
• W2048639821 hasAuthorship W2048639821A5084206111 @default.
• W2048639821 hasBestOaLocation W20486398211 @default.
• W2048639821 hasConcept C107824862 @default.
• W2048639821 hasConcept C112401455 @default.
• W2048639821 hasConcept C116569031 @default.
• W2048639821 hasConcept C117626034 @default.
• W2048639821 hasConcept C119599485 @default.
• W2048639821 hasConcept C121332964 @default.
• W2048639821 hasConcept C12554922 @default.

• next