Complexes after comparative docking

Receptor: model based on 3UTC 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
SF4_B_5 0.000 3.8 0.57 0.0 IRON/SULFUR CLUSTER 3UTC Raw
0JX_B_6 0.000 5.0 0.96 95.6 (3E)-4-HYDROXYBUT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE 3UTC Raw