Complexes after comparative docking

Receptor: model based on 4KO8 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
AGS_A_3 0.000 7.7 1 94.7 PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER 4KO8 Raw