Complexes after comparative docking

Receptor: model based on 4MUX 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
2E4_B_6 0.000 5.5 0.9 100.0 PYRIDIN-3-YLMETHYL TRIHYDROGEN DIPHOSPHATE 4MUX Raw
SF4_B_5 0.000 3.6 0.5 0.0 IRON/SULFUR CLUSTER 4MUX Raw