Complexes after comparative docking

Receptor: model based on 3GSB 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
PMP_C_3 0.000 4.4 0.65 98.1 4 -DEOXY-4 -AMINOPYRIDOXAL-5 -PHOSPHATE 3GSB Raw
GAB_D_4 0.000 2.7 0.63 11.9 3-AMINOBENZOIC ACID 3GSB Raw