Complexes after comparative docking

Receptor: model based on 4AJR 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
NAP_A_3 0.000 8.9 1 26.9 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 4AJR Raw
AKG_A_4 0.000 3.7 0.69 91.0 2-OXOGLUTARIC ACID 4AJR Raw