Table 1 GabR forms used in MD.
Denomination | characteristics |
|---|---|
holo-GABA | GabR in complex with PLP-GABA external aldimine. wHTH and linker modules from structure 4N0B and AAT domains from 5T4J. Closed conformation. |
holo | Derived from holo-GABA after GABA removal. PLP internal aldimine reconstructed according to its structure in 4N0B. |
apo | Holo-GABA after PLP-GABA complex removal. |