Complexes after comparative docking

Receptor: model based on 2FC2 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
HEM_A_3 0.000 11.7 0.61 50.0 PROTOPORPHYRIN IX CONTAINING FE 2FC2 Raw
HBI_A_7 0.000 3.2 0.8 33.3 7,8-DIHYDROBIOPTERIN 2FC2 Raw