Complexes after comparative docking

Receptor: model based on 4PFM chain:B
& 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
LYS_A_3 0.000 3.2 0.46 75.0 LYSINE 4PFM Raw
LYS_B_7 0.000 3.3 0.46 33.3 LYSINE 4PFM Raw