Complexes after comparative docking

Receptor: model based on 4QRH 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
0O2_C_12 0.000 10.6 1 99.2 GUANOSINE 5 -(TETRAHYDROGEN TRIPHOSPHATE) 3 -(TRIHYDROGEN DIPHOSPHATE) 4QRH Raw