Complexes after comparative docking

Receptor: model based on 3AG6 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
PAJ_A_3 0.000 9.1 0.98 100.0 PANTOYL ADENYLATE 3AG6 Raw