Complexes after comparative docking

Receptor: model based on 3UTD 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
F3S_B_5 0.000 3.9 0.57 6.8 FE3-S4 CLUSTER 3UTD Raw
0CJ_B_6 0.000 5.8 0.93 100.0 4-OXOPENTYL TRIHYDROGEN DIPHOSPHATE 3UTD Raw