Complexes after comparative docking

Receptor: model based on 1ARS 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
PLP_C_3 0.000 5.2 0.57 52.5 PYRIDOXAL-5 -PHOSPHATE 1ARS Raw