Complexes after comparative docking

Receptor: model based on 3UJS 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
XSP_A_5 0.000 4.4 0.81 91.1 (2R)-3-OXO-2-(PHOSPHONOOXY)PROPANOIC ACID 3UJS Raw