Hi all. When I did molecular docking on oxacillin antibiotic against PBP-2A (1VQQ), the oxacillin does binds to the PBP-2A protein, and I selected the lowest free energy bind for further analysis (to look at what amino acid interacting with the Oxacillin. Unfortunately, it did not binds to the active sites of the 1VQQ protein (which is the Ser-403 amino acid). I was wondering is there any other suggestion on which peptidoglycan synthesis protein should I target on or scientific paper saying oxacillin binds to which particular protein inhibits the peptidoglycan synthesis process? Please help.
Thank you in advance.