Functional enzyme-polymer complexes was written by Waltmann, Curt;Mills, Carolyn E.;Wang, Jeremy;Qiao, Baofu;Torkelson, John M.;Tullman-Ercek, Danielle;Olvera de la Cruz, Monica. And the article was included in Proceedings of the National Academy of Sciences of the United States of America in 2022.Computed Properties of C9H18O5S The following contents are mentioned in the article:
Engineered and native enzymes are poised to solve challenges in medicine, bioremediation, and biotechnol. One important goal is the possibility of upcycling polymers using enzymes. However, enzymes are often inactive in industrial, nonbiol. conditions. It is particularly difficult to protect water-soluble enzymes at elevated temperatures by methods that preserve their functionality. Through atomistic and coarse-grained mol. dynamics simulations that capture protein conformational change, we show that an enzyme, PETase (polyethylene terephthalate [PET]), can be stabilized at elevated temperatures by complexation with random copolymers into nanoscale aggregates that do not precipitate into macroscopic phases. We demonstrated the efficiency of the method by simulating complexes of random copolymers and the enzyme PETase, which depolymerizes PET, a highly used polymer. These polymers are more industrially viable than peptides and can target specific domains on an enzyme. We design the mean composition of the random copolymers to control the polymer-enzyme surface contacts and the polymer conformation. When positioned on or near the active site, these polymer contacts can further stabilize the conformation of the active site at elevated temperatures We explore the exptl. implications of this active site stabilization method and show that PETase-random copolymer complexes have enhanced activity on both small mol. substrates and solid PET films. These results provide guidelines for engineering enzyme-polymer complexes with enhanced enzyme functionality in nonbiol. environments. This study involved multiple reactions and reactants, such as (2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1Computed Properties of C9H18O5S).
(2R,3R,4S,5R,6S)-2-(Hydroxymethyl)-6-(isopropylthio)tetrahydro-2H-pyran-3,4,5-triol (cas: 367-93-1) belongs to alcohols. Similar to water, an alcohol can be pictured as having an sp3 hybridized tetrahedral oxygen atom with nonbonding pairs of electrons occupying two of the four sp3 hybrid orbitals. Tertiary alcohols cannot be oxidized at all without breaking carbon-carbon bonds, whereas primary alcohols can be oxidized to aldehydes or further oxidized to carboxylic acids.Computed Properties of C9H18O5S
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts