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A MOLECULAR DYNAMICS STUDY ON THE ROLE OF THE PROTONATION STATE IN THE BIOSYNTHESIS OF R-PAC BY AHAS.

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dc.creatorOMAR BLAS ALVARADO CARRIPAN
dc.date2019
dc.date.accessioned2025-01-10T15:10:49Z
dc.date.available2025-01-10T15:10:49Z
dc.date.issued2019
dc.description.abstractTHE EFFECT OF THE PROTONATION STATE OF THE HYDROXYL-ETHYLTHIAMIN DIPHOSPHATE INTERMEDIATE, HETHDP, ON THE ENZYME-SUBSTRATE INTERACTIONS AND THEIR CONSEQUENCES ON THE BIOSYNTHESIS OF R-PHENYLACETYLCARBINOL, R-PAC, BY THE ACETOHYDROXY ACID SYNTHASE, AHAS, IS ADDRESSED BY MOLECULAR DYNAMICS SIMULATIONS. IT IS FOUND THAT THE FORM OF HETHDP, WHICH FAVORS THE FORMATION OF R-PAC, IS THAT HAVING THE 4-AMINOPYRIMIDINE RING WITH THE N1 ATOM PROTONATED AND THE N4 ATOM AS AMINOPYRIMIDINIUM ION. UNDER THIS FORM BOTH ACTIVE SITES OF AHAS HAVE THE ABILITY TO PERFORM THE CATALYSIS, UNLIKE THAT OBSERVED FOR THE OTHER POSSIBLE PROTONATION STATES OF N1? AND N4? ATOMS.
dc.formatapplication/pdf
dc.identifier.doi10.1016/j.cplett.2018.12.039
dc.identifier.issn1873-4448
dc.identifier.issn0009-2614
dc.identifier.urihttps://repositorio.ubiobio.cl/handle/123456789/10799
dc.languagespa
dc.publisherCHEMICAL PHYSICS LETTERS
dc.relation.uri10.1016/j.cplett.2018.12.039
dc.rightsPUBLICADA
dc.titleA MOLECULAR DYNAMICS STUDY ON THE ROLE OF THE PROTONATION STATE IN THE BIOSYNTHESIS OF R-PAC BY AHAS.
dc.typeARTÍCULO
dspace.entity.typePublication
ubb.EstadoPUBLICADA
ubb.Otra ReparticionDEPARTAMENTO DE QUIMICA
ubb.SedeCONCEPCIÓN
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