FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1913515854> ?p ?o ?g. }

• W1913515854 endingPage "e0133372" @default.
• W1913515854 startingPage "e0133372" @default.
• W1913515854 abstract "Large-scale conformational change is a common feature in the catalytic cycles of enzymes. Many enzymes function as homodimers with active sites that contain elements from both chains. Symmetric and anti-symmetric cooperative motions in homodimers can potentially lead to correlated active site opening and/or closure, likely to be important for ligand binding and release. Here, we examine such motions in two different domain-swapped homodimeric enzymes: the DcpS scavenger decapping enzyme and citrate synthase. We use and compare two types of all-atom simulations: conventional molecular dynamics simulations to identify physically meaningful conformational ensembles, and rapid geometric simulations of flexible motion, biased along normal mode directions, to identify relevant motions encoded in the protein structure. The results indicate that the opening/closure motions are intrinsic features of both unliganded enzymes. In DcpS, conformational change is dominated by an anti-symmetric cooperative motion, causing one active site to close as the other opens; however a symmetric motion is also significant. In CS, we identify that both symmetric (suggested by crystallography) and asymmetric motions are features of the protein structure, and as a result the behaviour in solution is largely non-cooperative. The agreement between two modelling approaches using very different levels of theory indicates that the behaviours are indeed intrinsic to the protein structures. Geometric simulations correctly identify and explore large amplitudes of motion, while molecular dynamics simulations indicate the ranges of motion that are energetically feasible. Together, the simulation approaches are able to reveal unexpected functionally relevant motions, and highlight differences between enzymes." @default.
• W1913515854 created "2016-06-24" @default.
• W1913515854 creator A5021710523 @default.
• W1913515854 creator A5044048108 @default.
• W1913515854 creator A5078289414 @default.
• W1913515854 creator A5080133422 @default.
• W1913515854 date "2015-08-04" @default.
• W1913515854 modified "2023-09-26" @default.
• W1913515854 title "Structure and Function in Homodimeric Enzymes: Simulations of Cooperative and Independent Functional Motions" @default.
• W1913515854 cites W1486688369 @default.
• W1913515854 cites W1969512842 @default.
• W1913515854 cites W1970289489 @default.
• W1913515854 cites W1976499671 @default.
• W1913515854 cites W1977672277 @default.
• W1913515854 cites W1980430311 @default.
• W1913515854 cites W1984261961 @default.
• W1913515854 cites W1986719264 @default.
• W1913515854 cites W1994148805 @default.
• W1913515854 cites W2000781660 @default.
• W1913515854 cites W2002391275 @default.
• W1913515854 cites W2015970511 @default.
• W1913515854 cites W2018882320 @default.
• W1913515854 cites W2019004327 @default.
• W1913515854 cites W2020846029 @default.
• W1913515854 cites W2020905416 @default.
• W1913515854 cites W2027408247 @default.
• W1913515854 cites W2028702957 @default.
• W1913515854 cites W2036005114 @default.
• W1913515854 cites W2045676926 @default.
• W1913515854 cites W2048225378 @default.
• W1913515854 cites W2057400263 @default.
• W1913515854 cites W2060059149 @default.
• W1913515854 cites W2063962473 @default.
• W1913515854 cites W2074978715 @default.
• W1913515854 cites W2079393636 @default.
• W1913515854 cites W2081503971 @default.
• W1913515854 cites W2081698089 @default.
• W1913515854 cites W2091930133 @default.
• W1913515854 cites W2093547815 @default.
• W1913515854 cites W2094357611 @default.
• W1913515854 cites W2103943747 @default.
• W1913515854 cites W2104021409 @default.
• W1913515854 cites W2106140689 @default.
• W1913515854 cites W2111839788 @default.
• W1913515854 cites W2112315506 @default.
• W1913515854 cites W2118180037 @default.
• W1913515854 cites W2120113938 @default.
• W1913515854 cites W2140889378 @default.
• W1913515854 cites W2146985547 @default.
• W1913515854 cites W2150981663 @default.
• W1913515854 cites W2159000797 @default.
• W1913515854 cites W2161870238 @default.
• W1913515854 cites W2162166182 @default.
• W1913515854 cites W2163843196 @default.
• W1913515854 cites W2165500223 @default.
• W1913515854 cites W2166905169 @default.
• W1913515854 cites W2168989513 @default.
• W1913515854 cites W2953288379 @default.
• W1913515854 doi "https://doi.org/10.1371/journal.pone.0133372" @default.
• W1913515854 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4524684" @default.
• W1913515854 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26241964" @default.
• W1913515854 hasPublicationYear "2015" @default.
• W1913515854 type Work @default.
• W1913515854 sameAs 1913515854 @default.
• W1913515854 citedByCount "24" @default.
• W1913515854 countsByYear W19135158542016 @default.
• W1913515854 countsByYear W19135158542017 @default.
• W1913515854 countsByYear W19135158542018 @default.
• W1913515854 countsByYear W19135158542019 @default.
• W1913515854 countsByYear W19135158542020 @default.
• W1913515854 countsByYear W19135158542021 @default.
• W1913515854 countsByYear W19135158542023 @default.
• W1913515854 crossrefType "journal-article" @default.
• W1913515854 hasAuthorship W1913515854A5021710523 @default.
• W1913515854 hasAuthorship W1913515854A5044048108 @default.
• W1913515854 hasAuthorship W1913515854A5078289414 @default.
• W1913515854 hasAuthorship W1913515854A5080133422 @default.
• W1913515854 hasBestOaLocation W19135158541 @default.
• W1913515854 hasConcept C121332964 @default.
• W1913515854 hasConcept C12554922 @default.
• W1913515854 hasConcept C14036430 @default.
• W1913515854 hasConcept C147597530 @default.
• W1913515854 hasConcept C159467904 @default.
• W1913515854 hasConcept C181199279 @default.
• W1913515854 hasConcept C185592680 @default.
• W1913515854 hasConcept C186060115 @default.
• W1913515854 hasConcept C41183919 @default.
• W1913515854 hasConcept C47701112 @default.
• W1913515854 hasConcept C55493867 @default.
• W1913515854 hasConcept C59593255 @default.
• W1913515854 hasConcept C78458016 @default.
• W1913515854 hasConcept C86803240 @default.
• W1913515854 hasConceptScore W1913515854C121332964 @default.
• W1913515854 hasConceptScore W1913515854C12554922 @default.
• W1913515854 hasConceptScore W1913515854C14036430 @default.
• W1913515854 hasConceptScore W1913515854C147597530 @default.
• W1913515854 hasConceptScore W1913515854C159467904 @default.
• W1913515854 hasConceptScore W1913515854C181199279 @default.

• next