7BFU
Thermogutta terrifontis esterase 2 phosphonylated by sarin
Summary for 7BFU
| Entry DOI | 10.2210/pdb7bfu/pdb |
| Related | 7bfn |
| Descriptor | Esterase, ETHANOL (3 entities in total) |
| Functional Keywords | nerve agent, conjugate, esterase, hydrolase |
| Biological source | Thermogutta terrifontis |
| Total number of polymer chains | 1 |
| Total formula weight | 31781.12 |
| Authors | Brazzolotto, X.B.,Bzdrenga, J.,Nachon, F. (deposition date: 2021-01-04, release date: 2021-02-10, Last modification date: 2024-01-31) |
| Primary citation | Bzdrenga, J.,Trenet, E.,Chantegreil, F.,Bernal, K.,Nachon, F.,Brazzolotto, X. A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study. Molecules, 26:-, 2021 Cited by PubMed Abstract: Organophosphorous nerve agents (OPNA) pose an actual and major threat for both military and civilians alike, as an upsurge in their use has been observed in the recent years. Currently available treatments mitigate the effect of the nerve agents, and could be vastly improved by means of scavengers of the nerve agents. Consequently, efforts have been made over the years into investigating enzymes, also known as bioscavengers, which have the potential either to trap or hydrolyze these toxic compounds. We investigated the previously described esterase 2 from (TtEst2) as a potential bioscavenger of nerve agents. As such, we assessed its potential against G-agents (tabun, sarin, and cyclosarin), VX, as well as the pesticide paraoxon. We report that TtEst2 is a good bioscavenger of paraoxon and G-agents, but is rather slow at scavenging VX. X-ray crystallography studies showed that TtEst2 forms an irreversible complex with the aforementioned agents, and allowed the identification of amino-acids, whose mutagenesis could lead to better scavenging properties for VX. In conjunction with its cheap production and purification processes, as well as a robust structural backbone, further engineering of TtEst2 could lead to a stopgap bioscavenger useful for in corpo scavenging or skin decontamination. PubMed: 33513869DOI: 10.3390/molecules26030657 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
Download full validation report
