Complexes after comparative docking

Receptor: model based on 4EAK chain:C
& 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
ATP_C_5 0.000 5.9 1 64.7 ADENOSINE-5 -TRIPHOSPHATE 4EAK Raw