Complexes after comparative docking

Receptor: model based on 4JH8 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
CYS_B_12 0.000 3.1 0.45 10.3 CYSTEINE 4JH8 Raw
FCN_B_11 0.000 2.9 0.66 100.0 FOSFOMYCIN 4JH8 Raw