Study : T0704 (models@predictioncenter.org)

Best Complexes after Comparative Docking: Download: Best Ligands after Comparative Docking Ligand Type Selected for this Study : Small Molecules; Peptides; Sugar; Nucleic Acid; Ions. Number of Ligands Found in Study: 106 (Click on Model to display complexes with selected ligand(s))

based on 1RI1 Atome Sc:82.46 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAI_B_2 1XTP C2_S1 -6.8 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAI_D_4 2AVN C2_S1 -6.8 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAM_A_7 3E23 C2_S1 -5.7 - Raw S-ADENOSYLMETHIONINE SAM_A_3 1VE3 C2_S1 -4.5 - Raw S-ADENOSYLMETHIONINE SAH_B_2 1RI1 C2_S1 -4.4 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 2P35 C2_S1 -4.3 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_C_3 2GS9 C2_S1 -4.3 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_O_15 1WZN C2_S1 -4.0 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3H2B C2_S1 -3.6 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAM_A_3 2YQZ C2_S1 -3.2 - Raw S-ADENOSYLMETHIONINE SAH_A_10 3G5T C2_S1 -3.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE

based on 3G5T Atome Sc:74.40 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAH_A_10 3G5T C2_S1 -6.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAM_A_3 2YQZ C2_S1 -5.7 - Raw S-ADENOSYLMETHIONINE SAI_D_4 2AVN C2_S1 -5.4 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_B_2 1RI1 C2_S1 -5.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_O_15 1WZN C2_S1 -5.1 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAM_A_7 3E23 C2_S1 -4.9 - Raw S-ADENOSYLMETHIONINE SAI_B_2 1XTP C2_S1 -4.5 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_I_9 1L3I C2_S1 -3.9 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 2P35 C2_S1 -3.8 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3H2B C2_S1 -3.5 - Raw S-ADENOSYL-L-HOMOCYSTEINE

based on 2YQZ Atome Sc:59.25 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAM_A_3 2YQZ C2_S1 -6.1 - Raw S-ADENOSYLMETHIONINE SAM_A_7 3E23 C2_S1 -6.0 - Raw S-ADENOSYLMETHIONINE SAI_D_4 2AVN C2_S1 -5.6 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_C_3 2GS9 C2_S1 -4.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3H2B C2_S1 -4.1 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 2P35 C2_S1 -3.8 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_O_15 1WZN C2_S1 -3.8 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3BUS C2_S1 -3.7 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_I_9 1L3I C2_S1 -3.4 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAM_A_3 1VE3 C2_S1 -3.4 - Raw S-ADENOSYLMETHIONINE

based on 1XVA Atome Sc:73.55 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAI_D_4 2AVN C2_S1 -5.1 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAM_A_9 1XVA C2_S1 -4.7 - Raw S-ADENOSYLMETHIONINE SAH_I_9 1L3I C2_S1 -4.0 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3BUS C2_S1 -3.9 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_C_3 2GS9 C2_S1 -3.5 - Raw S-ADENOSYL-L-HOMOCYSTEINE

based on 2PXX Atome Sc:58.53 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAM_A_7 3E23 C2_S1 -6.5 - Raw S-ADENOSYLMETHIONINE SAI_D_4 2AVN C2_S1 -3.8 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_A_3 3H2B C2_S1 -3.1 - Raw S-ADENOSYL-L-HOMOCYSTEINE