Complexes after comparative docking

Receptor: model based on 4CVK 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
UDP_A_3 0.000 6.4 0.79 35.5 URIDINE-5 -DIPHOSPHATE 4CVK Raw
API_A_6 0.000 2.5 0.54 66.7 2,6-DIAMINOPIMELIC ACID 4CVK Raw
ALA_A_2 0.000 2.3 0.35 60.0 ALANINE 4CVK Raw
MUB_A_4 0.000 2.1 0.33 52.6 N-ACETYLMURAMIC ACID 4CVK Raw