2.2 | Molecular docking of ATP and modeling of OsL1:OsS1 heterotetrametric complexes
To investigate the binding of ATP, we followed the methods outlined in recent publications18,19,27,29 for conducting molecular docking. The ATP coordinates were integrated into the OsL1:OsS1 heterotetramer models derived from the potato AGPase SS structure (1YP3).29 In order to deduce the potential interfaces involved in the formation of the OsL1:OsS1 heterotetramer, we generated three heterotetrameric models (Complex-I, II, and III) based on previous reports,11,12,27 utilizing the potato AGPase SS homotetramer structure (1YP3)29 as a reference template. The molecular docking of ATP and the modeling of heterotetrameric complexes were carried out using PyMOL, following the procedures described in our previous studies.27,36-38