Complexes after comparative docking

Receptor: model based on 3Q7E 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
SAH_A_2 0.000 5.4 0.81 0.0 S-ADENOSYL-L-HOMOCYSTEINE 3Q7E Raw
CHAIN_D_4 0.174 3.4 0.31 0.0 Substrate peptide 1OR8 Raw
SAH_A_6 0.187 5.6 0.81 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1OR8 Raw
SAH_C_3 0.198 5.3 0.81 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1ORH Raw
CHAIN_B_2 0.234 3.2 0.3 0.0 Substrate peptide 1OR8 Raw
SAH_A_2 0.244 5.2 0.8 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1ORI Raw
CHAIN_C_3 0.262 3.1 0.22 0.0 Substrate peptide 1OR8 Raw
SAH_A_2 0.488 5.3 0.8 0.0 S-ADENOSYL-L-HOMOCYSTEINE 2FYT Raw
SAH_B_2 0.522 5.1 0.79 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1F3L Raw
SAH_A_2 0.538 5.6 0.8 0.0 S-ADENOSYL-L-HOMOCYSTEINE 4HC4 Raw
0XU_A_4 0.957 5.1 0.83 0.0 (2S,5S,6E)-2,5-DIAMINO-6-[(3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYDIHYDROFURAN-2(3H)-YLIDENE]HEXANOIC ACID 4GQB Raw
CHAIN_C_3 1.402 Error 0.26 0.0 Histone H4 peptide 4GQB Raw
BEN_A_3 2.698 0.1 0.39 0.0 BENZAMIDINE 3B3J Raw
BEN_A_5 2.884 Error 0.51 0.0 BENZAMIDINE 3B3J Raw
BEN_A_5 2.884 Error 0.51 0.0 BENZAMIDINE 3B3J Raw