Complexes after comparative docking

Receptor: model based on 3JR4 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
NACID_C_3 0.000 6.0 0.36 18.2 DNA (5 -D(*TP*G*CP*GP*TP*CP*CP*AP*(GX1)P*GP*TP*CP*TP*AP*CP*C)-3 ) 3JR4 Raw