Complexes after comparative docking

Receptor: model based on 4EB3 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
0O3_B_6 0.000 4.9 0.92 97.6 3-(HYDROXYMETHYL)BUT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE 4EB3 Raw
SF4_B_5 0.000 3.9 0.52 0.0 IRON/SULFUR CLUSTER 4EB3 Raw