predicted active site and binding site

1. I want to know how I can get the models of the enzymes and substrate binding( My enzyme is ATP synthesis β subunit,
the ligand are ADP and Pi)?
2. The results of predicted binding sits were different by COFACTOR( job id is175934) and COACH(job id is CH009091)and I want
> to know which are more reliable?
3.The relationship of predicted active site and binding site of the enzyme was what?