Complexes after comparative docking

Receptor: model based on 3CEP 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
PLP_B_7 0.000 10.3 0.59 7.7 PYRIDOXAL-5 -PHOSPHATE 3CEP Raw