Complexes after comparative docking

Receptor: model based on 2HG8 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
MLE_E_5 0.000 2.7 0.29 0.0 N-METHYLLEUCINE 2HG8 Raw
PLP_B_4 0.000 4.2 0.53 100.0 PYRIDOXAL-5 -PHOSPHATE 2HG8 Raw