Complexes after comparative docking

Receptor: model based on 3KE9 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
IPE_A_4 0.000 5.4 0.8 98.0 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE 3KE9 Raw
SF4_A_3 0.000 3.6 0.5 0.0 IRON/SULFUR CLUSTER 3KE9 Raw