Complexes after comparative docking

Receptor: model based on 4FG8 chain:A
& Ligands found in homologous templates


Theoretical pKd : [ ‹nMol | ‹μMol | ‹mMol | ›mMol] - Values:

Score for Scwrl (Unconserved side chains of binding site are recalculated) model :

Result RMS (ca) pKd Avg. Q PSim Ligand Name : Origin Transfer
ATP_A_3 0.000 5.4 0.94 55.9 ADENOSINE-5 -TRIPHOSPHATE 4FG8 Raw