Complexes after comparative docking

Receptor: model based on 1SPA 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
NPL_C_3 0.000 7.1 0.73 30.7 N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE 1SPA Raw