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Reaction Mechanism of cis-3-Chloroacrylic Acid Dehalogenase - A Theoretical Study
The reaction mechanism of cis-3-chloroacrylic acid dehalogenase (cis-CaaD) is studied using the density functional theory method B3LYP. This enzyme catalyzes the hydrolytic dehalogenation of cis-3-chloroacrylic acid to yield malonate semialdehyde and HCl. The uncatalyzed reaction is first considered...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2009
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2798121/ https://ncbi.nlm.nih.gov/pubmed/19725565 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi900879a |
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