Complexes after comparative docking

Receptor: model based on 4MUX 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
SF4_A_3 0.000 3.8 0.57 0.0 IRON/SULFUR CLUSTER 4MUX Raw
2E4_A_4 0.000 5.6 0.97 98.4 PYRIDIN-3-YLMETHYL TRIHYDROGEN DIPHOSPHATE 4MUX Raw