Complexes after comparative docking

Receptor: model based on 4MUY 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 3.6 0.5 5.7 FE3-S4 CLUSTER 4MUY Raw
2E5_B_6 0.000 5.7 0.89 98.0 PYRIDIN-4-YLMETHYL TRIHYDROGEN DIPHOSPHATE 4MUY Raw