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Uncovering the Role of Key Active-Site Side Chains in Catalysis: An Extended Brønsted Relationship for Substrate Deprotonation Catalyzed by Wild-Type and Variants of Triosephosphate Isomerase
[Image: see text] We report results of detailed empirical valence bond simulations that model the effect of several amino acid substitutions on the thermodynamic (ΔG°) and kinetic activation (ΔG(⧧)) barriers to deprotonation of dihydroxyacetone phosphate (DHAP) and d-glyceraldehyde 3-phosphate (GAP)...
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| Pubblicato in: | J Am Chem Soc |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Chemical Society
2019
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| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7032883/ https://ncbi.nlm.nih.gov/pubmed/31508957 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jacs.9b08713 |
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