Complexes after comparative docking

Receptor: model based on 3UV6 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
0CH_B_6 0.000 5.6 0.97 98.8 4-HYDROXYBUTYL TRIHYDROGEN DIPHOSPHATE 3UV6 Raw
SF4_B_5 0.000 3.8 0.57 0.0 IRON/SULFUR CLUSTER 3UV6 Raw