Complexes after comparative docking

Receptor: model based on 4YMV chain:J
& 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_J_5 0.000 3.4 0.9 88.8 ADENOSINE-5 -TRIPHOSPHATE 4YMV Raw