FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2778312196> ?p ?o ?g. }

• W2778312196 endingPage "1131" @default.
• W2778312196 startingPage "1121" @default.
• W2778312196 abstract "The pyrimidine-specific nucleoside hydrolase Yeik (CU-NH) from Escherichia coli cleaves the N-glycosidic bond of uridine and cytidine with a 102–104-fold faster rate than that of purine nucleoside substrates, such as inosine. Such a remarkable substrate specificity and the plausible hydrolytic mechanisms of uridine have been explored by using QM/MM and MM MD simulations. The present calculations show that the relatively stronger hydrogen-bond interactions between uridine and the active-site residues Gln227 and Tyr231 in CU-NH play an important role in enhancing the substrate binding and thus promoting the N-glycosidic bond cleavage, in comparison with inosine. The estimated energy barrier of 30 kcal/mol for the hydrolysis of inosine is much higher than 22 kcal/mol for uridine. Extensive MM MD simulations on the transportation of substrates to the active site of CU-NH indicate that the uridine binding is exothermic by ∼23 kcal/mol, more remarkable than inosine (∼12 kcal/mol). All of these arise from the noncovalent interactions between the substrate and the active site featured in CU-NH, which account for the substrate specificity. Quite differing from other nucleoside hydrolases, here the enzymatic N-glycosidic bond cleavage of uridine is less influenced by its protonation." @default.
• W2778312196 created "2018-01-05" @default.
• W2778312196 creator A5000516893 @default.
• W2778312196 creator A5018002453 @default.
• W2778312196 creator A5026810840 @default.
• W2778312196 creator A5038587458 @default.
• W2778312196 creator A5065291000 @default.
• W2778312196 date "2018-01-11" @default.
• W2778312196 modified "2023-10-17" @default.
• W2778312196 title "QM/MM and MM MD Simulations on the Pyrimidine-Specific Nucleoside Hydrolase: A Comprehensive Understanding of Enzymatic Hydrolysis of Uridine" @default.
• W2778312196 cites W1492954336 @default.
• W2778312196 cites W1503295604 @default.
• W2778312196 cites W1513458978 @default.
• W2778312196 cites W1829137089 @default.
• W2778312196 cites W1964758803 @default.
• W2778312196 cites W1966025717 @default.
• W2778312196 cites W1966170157 @default.
• W2778312196 cites W1971575551 @default.
• W2778312196 cites W1971999814 @default.
• W2778312196 cites W1976161355 @default.
• W2778312196 cites W1976499671 @default.
• W2778312196 cites W1978454394 @default.
• W2778312196 cites W1980167978 @default.
• W2778312196 cites W1982582769 @default.
• W2778312196 cites W1984184350 @default.
• W2778312196 cites W1985522520 @default.
• W2778312196 cites W1992134468 @default.
• W2778312196 cites W1996956387 @default.
• W2778312196 cites W2001459031 @default.
• W2778312196 cites W2001508818 @default.
• W2778312196 cites W2006223819 @default.
• W2778312196 cites W2010743437 @default.
• W2778312196 cites W2011215939 @default.
• W2778312196 cites W2013843000 @default.
• W2778312196 cites W2015252767 @default.
• W2778312196 cites W2019056414 @default.
• W2778312196 cites W2020288705 @default.
• W2778312196 cites W2026624650 @default.
• W2778312196 cites W2027384625 @default.
• W2778312196 cites W2029362926 @default.
• W2778312196 cites W2030551465 @default.
• W2778312196 cites W2030971294 @default.
• W2778312196 cites W2032251412 @default.
• W2778312196 cites W2038417675 @default.
• W2778312196 cites W2045466371 @default.
• W2778312196 cites W2046334299 @default.
• W2778312196 cites W2051597972 @default.
• W2778312196 cites W2054285456 @default.
• W2778312196 cites W2055961804 @default.
• W2778312196 cites W2057080843 @default.
• W2778312196 cites W2057704501 @default.
• W2778312196 cites W2059255792 @default.
• W2778312196 cites W2059306325 @default.
• W2778312196 cites W2061189309 @default.
• W2778312196 cites W2067567688 @default.
• W2778312196 cites W2069123478 @default.
• W2778312196 cites W2074899694 @default.
• W2778312196 cites W2077873107 @default.
• W2778312196 cites W2079197830 @default.
• W2778312196 cites W2084447994 @default.
• W2778312196 cites W2084986417 @default.
• W2778312196 cites W2086328929 @default.
• W2778312196 cites W2089487071 @default.
• W2778312196 cites W2090900559 @default.
• W2778312196 cites W2091392856 @default.
• W2778312196 cites W2095263150 @default.
• W2778312196 cites W2106140689 @default.
• W2778312196 cites W2112154906 @default.
• W2778312196 cites W2118233996 @default.
• W2778312196 cites W2120901082 @default.
• W2778312196 cites W2122199548 @default.
• W2778312196 cites W2146195054 @default.
• W2778312196 cites W2147993766 @default.
• W2778312196 cites W2171297325 @default.
• W2778312196 cites W2314262426 @default.
• W2778312196 cites W2317863386 @default.
• W2778312196 cites W2318903266 @default.
• W2778312196 cites W2329514750 @default.
• W2778312196 cites W2331162600 @default.
• W2778312196 cites W2419371841 @default.
• W2778312196 doi "https://doi.org/10.1021/acs.jpcb.7b10524" @default.
• W2778312196 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/29285933" @default.
• W2778312196 hasPublicationYear "2018" @default.
• W2778312196 type Work @default.
• W2778312196 sameAs 2778312196 @default.
• W2778312196 citedByCount "7" @default.
• W2778312196 countsByYear W27783121962018 @default.
• W2778312196 countsByYear W27783121962019 @default.
• W2778312196 countsByYear W27783121962022 @default.
• W2778312196 countsByYear W27783121962023 @default.
• W2778312196 crossrefType "journal-article" @default.
• W2778312196 hasAuthorship W2778312196A5000516893 @default.
• W2778312196 hasAuthorship W2778312196A5018002453 @default.
• W2778312196 hasAuthorship W2778312196A5026810840 @default.
• W2778312196 hasAuthorship W2778312196A5038587458 @default.
• W2778312196 hasAuthorship W2778312196A5065291000 @default.
• W2778312196 hasConcept C104317684 @default.
• W2778312196 hasConcept C111368507 @default.

• next