Complexes after comparative docking

Receptor: model based on 4MV0 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
2E6_B_6 0.000 5.8 0.84 99.6 PYRIDIN-2-YLMETHYL TRIHYDROGEN DIPHOSPHATE 4MV0 Raw
F3S_B_5 0.000 3.6 0.49 5.7 FE3-S4 CLUSTER 4MV0 Raw