FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3201111510> ?p ?o ?g. }

• W3201111510 endingPage "107582" @default.
• W3201111510 startingPage "107582" @default.
• W3201111510 abstract "Aminoacyl-tRNA synthetases are an indispensable component of ribosomal protein translational machinery and Plasmodium Tyrosyl-tRNA synthetase (PfTyrRS) is a validated drug target. This manuscript illustrates the dynamic conformational landscape of PfTyrRS in the context of substrate binding. Molecular dynamics simulations of PfTyrRS in the presence and absence of ligand show conformational heterogeneity for both the protein and the bound ligand. Diverse conformations for the evolutionarily conserved ATP binding motif (KMSKS) have been observed in both apo- and holo PfTyrRS. Further, the presented attributes of the tyrosyl-adenylate conformational sub-states in situ along with their implications on the strength of intermolecular interactions would be a pertinent benchmark for molecular design studies. In addition, an analysis of the ligand hydration pattern foregrounds the structurally conserved water-mediated inter-molecular interactions. The quantitative assessment of the conformational landscape, based on the fluctuations of the distance between the ligand binding pockets, of apo-PfTyrRS and holo-PfTyrRS highlights the nature of diversity in conformational sampling for the two cases. Evidently, the holo-PfTyrRS adopts a rather compact conformation compared to the apo-PfTyrRS. An intriguing asymmetry in the dynamics of the two monomers is contextualized with the functional asymmetry of the symmetrically dimeric PfTyrRS. Importantly, the network of non-bonded contacts in the apo- and holo- simulated ensembles has been analyzed. The graph-theoretic analysis-based novel insights concerning the nature of information flow as a function of ligation state would prove valuable in understanding PfTyrRS functions. The results presented here contend that understanding allostery in PfTyrRS is essential to astutely design structure-based inhibitors." @default.
• W3201111510 created "2021-09-27" @default.
• W3201111510 creator A5031576496 @default.
• W3201111510 date "2021-12-01" @default.
• W3201111510 modified "2023-09-24" @default.
• W3201111510 title "Interplay of substrate polymorphism and conformational plasticity of Plasmodium tyrosyl-tRNA synthetase" @default.
• W3201111510 cites W1495658850 @default.
• W3201111510 cites W1514760836 @default.
• W3201111510 cites W1967131638 @default.
• W3201111510 cites W1968984443 @default.
• W3201111510 cites W1972101882 @default.
• W3201111510 cites W1978075857 @default.
• W3201111510 cites W1998502755 @default.
• W3201111510 cites W2002959903 @default.
• W3201111510 cites W2007000408 @default.
• W3201111510 cites W2007455490 @default.
• W3201111510 cites W2008411181 @default.
• W3201111510 cites W2013306140 @default.
• W3201111510 cites W2020891464 @default.
• W3201111510 cites W2035266068 @default.
• W3201111510 cites W2036927874 @default.
• W3201111510 cites W2038247271 @default.
• W3201111510 cites W2058206198 @default.
• W3201111510 cites W2070359441 @default.
• W3201111510 cites W2072285730 @default.
• W3201111510 cites W2079304683 @default.
• W3201111510 cites W2079370986 @default.
• W3201111510 cites W2085148871 @default.
• W3201111510 cites W2088091011 @default.
• W3201111510 cites W2096929343 @default.
• W3201111510 cites W2103945336 @default.
• W3201111510 cites W2106140689 @default.
• W3201111510 cites W2118571345 @default.
• W3201111510 cites W2147993766 @default.
• W3201111510 cites W2326657981 @default.
• W3201111510 cites W2332712348 @default.
• W3201111510 cites W2404280981 @default.
• W3201111510 cites W2519702605 @default.
• W3201111510 cites W2766943352 @default.
• W3201111510 doi "https://doi.org/10.1016/j.compbiolchem.2021.107582" @default.
• W3201111510 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/34571426" @default.
• W3201111510 hasPublicationYear "2021" @default.
• W3201111510 type Work @default.
• W3201111510 sameAs 3201111510 @default.
• W3201111510 citedByCount "0" @default.
• W3201111510 crossrefType "journal-article" @default.
• W3201111510 hasAuthorship W3201111510A5031576496 @default.
• W3201111510 hasConcept C104317684 @default.
• W3201111510 hasConcept C109964505 @default.
• W3201111510 hasConcept C116569031 @default.
• W3201111510 hasConcept C12554922 @default.
• W3201111510 hasConcept C147597530 @default.
• W3201111510 hasConcept C153957851 @default.
• W3201111510 hasConcept C166342909 @default.
• W3201111510 hasConcept C170493617 @default.
• W3201111510 hasConcept C181199279 @default.
• W3201111510 hasConcept C185592680 @default.
• W3201111510 hasConcept C2777339483 @default.
• W3201111510 hasConcept C2777936996 @default.
• W3201111510 hasConcept C47701112 @default.
• W3201111510 hasConcept C55493867 @default.
• W3201111510 hasConcept C59593255 @default.
• W3201111510 hasConcept C67705224 @default.
• W3201111510 hasConcept C71240020 @default.
• W3201111510 hasConcept C86803240 @default.
• W3201111510 hasConceptScore W3201111510C104317684 @default.
• W3201111510 hasConceptScore W3201111510C109964505 @default.
• W3201111510 hasConceptScore W3201111510C116569031 @default.
• W3201111510 hasConceptScore W3201111510C12554922 @default.
• W3201111510 hasConceptScore W3201111510C147597530 @default.
• W3201111510 hasConceptScore W3201111510C153957851 @default.
• W3201111510 hasConceptScore W3201111510C166342909 @default.
• W3201111510 hasConceptScore W3201111510C170493617 @default.
• W3201111510 hasConceptScore W3201111510C181199279 @default.
• W3201111510 hasConceptScore W3201111510C185592680 @default.
• W3201111510 hasConceptScore W3201111510C2777339483 @default.
• W3201111510 hasConceptScore W3201111510C2777936996 @default.
• W3201111510 hasConceptScore W3201111510C47701112 @default.
• W3201111510 hasConceptScore W3201111510C55493867 @default.
• W3201111510 hasConceptScore W3201111510C59593255 @default.
• W3201111510 hasConceptScore W3201111510C67705224 @default.
• W3201111510 hasConceptScore W3201111510C71240020 @default.
• W3201111510 hasConceptScore W3201111510C86803240 @default.
• W3201111510 hasFunder F4320328822 @default.
• W3201111510 hasLocation W32011115101 @default.
• W3201111510 hasLocation W32011115102 @default.
• W3201111510 hasOpenAccess W3201111510 @default.
• W3201111510 hasPrimaryLocation W32011115101 @default.
• W3201111510 hasRelatedWork W1520350430 @default.
• W3201111510 hasRelatedWork W1922019906 @default.
• W3201111510 hasRelatedWork W2011669324 @default.
• W3201111510 hasRelatedWork W2032042676 @default.
• W3201111510 hasRelatedWork W2051337563 @default.
• W3201111510 hasRelatedWork W2052504582 @default.
• W3201111510 hasRelatedWork W2057201444 @default.
• W3201111510 hasRelatedWork W2136832878 @default.
• W3201111510 hasRelatedWork W2504314924 @default.
• W3201111510 hasRelatedWork W2897513391 @default.

• next