Complexes after comparative docking

Receptor: model based on 4RCV 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
DE2_A_5 0.000 2.7 0.5 54.5 1-DEOXY-L-ERYTHRULOSE 4RCV Raw
NDP_A_4 0.000 9.2 0.88 9.3 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 4RCV Raw