FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2146804547> ?p ?o ?g. }

• W2146804547 endingPage "566" @default.
• W2146804547 startingPage "559" @default.
• W2146804547 abstract "The complex N-glycan structures on glycoproteins play important roles in cell adhesion and recognition events in metazoan organisms. A critical step in the biosynthetic pathway leading from high mannose to these complex structures includes the transfer of N-acetylglucosamine (GlcNAc) to a mannose residue by the inverting N-acetylglucosaminyltransferase I (GnT-I). The catalytic mechanism of this enzymatic reaction is explored herein using DFT quantum chemical methods. The computational model used to follow the reaction is based on the X-ray crystallographic structure of GnT-I and contains 127 atoms that represent fragments of residues critical for the substrate binding and catalysis. The mechanism of the catalytic reaction was monitored by means of a 2D potential energy map calculated as a function of predefined reaction coordinates at the B3LYP/6-31G** level. This potential energy surface revealed one transition state associated with a reaction pathway following a concerted mechanism. The reaction barrier was estimated, and the structure of the transition state was characterized at the B3LYP/6-311++G**// B3LYP/6-31G** level." @default.
• W2146804547 created "2016-06-24" @default.
• W2146804547 creator A5006856491 @default.
• W2146804547 date "2003-05-07" @default.
• W2146804547 modified "2023-10-17" @default.
• W2146804547 title "Catalytic mechanism of the inverting N-acetylglucosaminyltransferase I: DFT quantum mechanical model of the reaction pathway and determination of the transition state structure" @default.
• W2146804547 cites W142220879 @default.
• W2146804547 cites W1482931197 @default.
• W2146804547 cites W1510851857 @default.
• W2146804547 cites W1964958542 @default.
• W2146804547 cites W1969331541 @default.
• W2146804547 cites W1982107327 @default.
• W2146804547 cites W199378738 @default.
• W2146804547 cites W1999724806 @default.
• W2146804547 cites W2011029745 @default.
• W2146804547 cites W2033850470 @default.
• W2146804547 cites W2044135718 @default.
• W2146804547 cites W2046310670 @default.
• W2146804547 cites W2049905838 @default.
• W2146804547 cites W2053863449 @default.
• W2146804547 cites W2058798560 @default.
• W2146804547 cites W2061900269 @default.
• W2146804547 cites W2063271557 @default.
• W2146804547 cites W2065893364 @default.
• W2146804547 cites W2066243047 @default.
• W2146804547 cites W2083190097 @default.
• W2146804547 cites W2084888226 @default.
• W2146804547 cites W2114643666 @default.
• W2146804547 cites W2129232972 @default.
• W2146804547 cites W2136887204 @default.
• W2146804547 cites W2155305442 @default.
• W2146804547 cites W2169499352 @default.
• W2146804547 doi "https://doi.org/10.1093/glycob/cwg067" @default.
• W2146804547 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/12672701" @default.
• W2146804547 hasPublicationYear "2003" @default.
• W2146804547 type Work @default.
• W2146804547 sameAs 2146804547 @default.
• W2146804547 citedByCount "21" @default.
• W2146804547 countsByYear W21468045472012 @default.
• W2146804547 countsByYear W21468045472013 @default.
• W2146804547 countsByYear W21468045472014 @default.
• W2146804547 countsByYear W21468045472015 @default.
• W2146804547 countsByYear W21468045472017 @default.
• W2146804547 countsByYear W21468045472020 @default.
• W2146804547 countsByYear W21468045472022 @default.
• W2146804547 crossrefType "journal-article" @default.
• W2146804547 hasAuthorship W2146804547A5006856491 @default.
• W2146804547 hasConcept C108625454 @default.
• W2146804547 hasConcept C121332964 @default.
• W2146804547 hasConcept C125277925 @default.
• W2146804547 hasConcept C147597530 @default.
• W2146804547 hasConcept C148898269 @default.
• W2146804547 hasConcept C152365726 @default.
• W2146804547 hasConcept C161790260 @default.
• W2146804547 hasConcept C178790620 @default.
• W2146804547 hasConcept C18553476 @default.
• W2146804547 hasConcept C185592680 @default.
• W2146804547 hasConcept C206212055 @default.
• W2146804547 hasConcept C2781338088 @default.
• W2146804547 hasConcept C32909587 @default.
• W2146804547 hasConcept C41183919 @default.
• W2146804547 hasConcept C55493867 @default.
• W2146804547 hasConcept C57476982 @default.
• W2146804547 hasConcept C62520636 @default.
• W2146804547 hasConcept C65024703 @default.
• W2146804547 hasConcept C71240020 @default.
• W2146804547 hasConcept C89031862 @default.
• W2146804547 hasConcept C93391505 @default.
• W2146804547 hasConceptScore W2146804547C108625454 @default.
• W2146804547 hasConceptScore W2146804547C121332964 @default.
• W2146804547 hasConceptScore W2146804547C125277925 @default.
• W2146804547 hasConceptScore W2146804547C147597530 @default.
• W2146804547 hasConceptScore W2146804547C148898269 @default.
• W2146804547 hasConceptScore W2146804547C152365726 @default.
• W2146804547 hasConceptScore W2146804547C161790260 @default.
• W2146804547 hasConceptScore W2146804547C178790620 @default.
• W2146804547 hasConceptScore W2146804547C18553476 @default.
• W2146804547 hasConceptScore W2146804547C185592680 @default.
• W2146804547 hasConceptScore W2146804547C206212055 @default.
• W2146804547 hasConceptScore W2146804547C2781338088 @default.
• W2146804547 hasConceptScore W2146804547C32909587 @default.
• W2146804547 hasConceptScore W2146804547C41183919 @default.
• W2146804547 hasConceptScore W2146804547C55493867 @default.
• W2146804547 hasConceptScore W2146804547C57476982 @default.
• W2146804547 hasConceptScore W2146804547C62520636 @default.
• W2146804547 hasConceptScore W2146804547C65024703 @default.
• W2146804547 hasConceptScore W2146804547C71240020 @default.
• W2146804547 hasConceptScore W2146804547C89031862 @default.
• W2146804547 hasConceptScore W2146804547C93391505 @default.
• W2146804547 hasIssue "8" @default.
• W2146804547 hasLocation W21468045471 @default.
• W2146804547 hasLocation W21468045472 @default.
• W2146804547 hasOpenAccess W2146804547 @default.
• W2146804547 hasPrimaryLocation W21468045471 @default.
• W2146804547 hasRelatedWork W1627530750 @default.
• W2146804547 hasRelatedWork W1967922568 @default.
• W2146804547 hasRelatedWork W1976700847 @default.
• W2146804547 hasRelatedWork W1985920036 @default.

• next