Complexes after comparative docking

Receptor: model based on 1YIY 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
PMP_B_9 0.000 5.5 0.74 52.6 4 -DEOXY-4 -AMINOPYRIDOXAL-5 -PHOSPHATE 1YIY Raw