Complexes after comparative docking

Receptor: model based on 1Y33 chain:E
& 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
CIT_E_6 0.000 3.0 0.58 33.3 CITRIC ACID 1Y33 Raw
CIT_E_5 0.000 3.5 0.61 100.0 CITRIC ACID 1Y33 Raw