Complexes after comparative docking

Receptor: model based on 2HP2 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
PLP_B_4 0.000 3.7 0.47 85.3 PYRIDOXAL-5 -PHOSPHATE 2HP2 Raw
HOZ_B_5 0.000 3.2 0.65 14.7 (4S)-4,5-DIAMINOPENTANOIC ACID 2HP2 Raw