Complexes after comparative docking

Receptor: model based on 2G1T chain:C
& 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
CHAIN_G_7 0.000 7.4 0.27 0.4 ATP-Peptide Conjugate 2G1T Raw
112_G_15 0.000 7.7 0.92 36.8 THIOPHOSPHORIC ACID O-((ADENOSYL-PHOSPHO)PHOSPHO)-S-ACETAMIDYL-DIESTER 2G1T Raw