Complexes after comparative docking

Receptor: model based on 2BMB 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
PMM_A_2 0.000 4.2 0.89 86.5 PTERIN-6-YL-METHYL-MONOPHOSPHATE 2BMB Raw