A Molecular Dynamics Simulation of OXA-23 in Complex With Meropenem
The oxa 23 gene is present in plasmids of Acinetobacter species, making these bacteria resistant to many antibiotics.oxa 23 oxa 23 The oxa 23 gene encodes for the class D b -lactamase, which hydrolyzes carbapenems. This enzyme has become a serious clinical problem because it can reduce the effectiveness of critically important antibiotics such as carbapenems. The oxa 23 gene is also found in several other Gram-negative bacteria such as Enterobacter. The presence of this gene in Acinetobacter species has facilitated the spread of oxa 23-producing strains, and this has led to an increase in infections caused by these bacteria. In order to better understand the functioning mechanism of this enzyme, we performed a molecular dynamics simulation of OXA-23 in complex with the antibiotic meropenem.oxa 23 The results show that the protein is able to assume different conformations. In particular, it is able to move in regions that are located above the active site of the protein. These results are important for a correct understanding of how this protein can hydrolyze various classes of carbapenems. We calculated the root-mean-square-fluctuation (RMSF) values for each of the residues in the structure, and we determined which areas of the protein are most mobile by examining the local distribution of the RMSF values.oxa 23 The…
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