Complexes after comparative docking

Receptor: model based on 3ZEU chain:E
& 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
AGS_E_16 0.000 6.5 1 87.6 PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 3ZEU Raw