Complexes after comparative docking

Receptor: model based on 1AMS 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
GUA_E_5 0.000 2.3 0.43 94.7 GLUTARIC ACID 1AMS Raw
PMP_C_3 0.000 6.6 0.81 32.7 4 -DEOXY-4 -AMINOPYRIDOXAL-5 -PHOSPHATE 1AMS Raw