Complexes after comparative docking

Receptor: model based on 3RKU chain:B
& 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
NAP_B_6 0.000 14.0 1 95.6 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 3RKU Raw