Complexes after comparative docking

Receptor: model based on 1ORH 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 0.209 6.1 0.79 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1ORI Raw
SAH_A_2 0.509 5.9 0.78 0.0 S-ADENOSYL-L-HOMOCYSTEINE 4HC4 Raw
SAH_C_3 0.000 5.8 0.79 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1ORH Raw
SAH_A_2 0.476 5.8 0.78 0.0 S-ADENOSYL-L-HOMOCYSTEINE 2FYT Raw
SAH_A_6 0.201 5.8 0.79 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1OR8 Raw
SAH_B_2 0.501 5.4 0.74 0.0 S-ADENOSYL-L-HOMOCYSTEINE 1F3L Raw
SAH_A_2 0.196 5.4 0.81 0.0 S-ADENOSYL-L-HOMOCYSTEINE 3Q7E Raw
0XU_A_4 0.986 5.0 0.77 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_B_2 0.323 3.5 0.35 0.0 Substrate peptide 1OR8 Raw
CHAIN_D_4 0.230 3.4 0.33 0.0 Substrate peptide 1OR8 Raw
CHAIN_C_3 0.303 3.3 0.21 0.0 Substrate peptide 1OR8 Raw
BEN_A_3 2.446 Error 0.41 0.0 BENZAMIDINE 3B3J Raw
BEN_A_5 2.872 Error 0.39 0.0 BENZAMIDINE 3B3J Raw
BEN_A_5 2.593 Error 0.39 0.0 BENZAMIDINE 3B3J Raw
BEN_A_3 1.983 Error 0.17 0.0 BENZAMIDINE 3B3J Raw
CHAIN_C_3 1.431 Error 0.22 0.0 Histone H4 peptide 4GQB Raw