Study : T0693 (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: 103 (Click on Model to display complexes with selected ligand(s))

based on 1RI1 Atome Sc:68.99 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAI_B_2 1XTP C1_S1 -6.6 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAM_A_2 3NDI C1_S1 -4.6 - Raw S-ADENOSYLMETHIONINE SAM_A_7 3E23 C1_S1 -4.5 - Raw S-ADENOSYLMETHIONINE SAH_B_2 1RI1 C1_S1 -4.1 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAM_A_7 3G07 C1_S1 -3.7 - Raw S-ADENOSYLMETHIONINE SAI_E_5 1IM8 C1_S1 -3.5 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_A_10 3G5T C1_S1 -3.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3BUS C1_S1 -3.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE

based on 1UFK Atome Sc:71.85 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAM_A_2 3NDI C1_S1 -5.0 - Raw S-ADENOSYLMETHIONINE SAM_A_7 3E23 C1_S1 -4.5 - Raw S-ADENOSYLMETHIONINE SAI_E_5 1IM8 C1_S1 -4.0 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAI_B_2 1XTP C1_S1 -4.0 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAH_B_2 1RI1 C1_S1 -3.7 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_10 3G5T C1_S1 -3.6 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3H2B C1_S1 -3.5 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAH_A_3 3BUS C1_S1 -3.4 - Raw S-ADENOSYL-L-HOMOCYSTEINE

based on 3SMQ Atome Sc:67.03 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAI_B_2 1XTP C1_S1 -4.8 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAM_A_7 3E23 C1_S1 -3.8 - Raw S-ADENOSYLMETHIONINE SAM_C_3 1QZZ C1_S1 -3.6 - Raw S-ADENOSYLMETHIONINE SAM_A_2 3NDI C1_S1 -3.2 - Raw S-ADENOSYLMETHIONINE SAH_A_3 3BUS C1_S1 -3.2 - Raw S-ADENOSYL-L-HOMOCYSTEINE SAI_E_5 1IM8 C1_S1 -3.1 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE

based on 3M33 Atome Sc:73.73 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAM_A_7 3E23 C1_S1 -4.6 - Raw S-ADENOSYLMETHIONINE SAI_B_2 1XTP C1_S1 -4.0 - Raw S-ADENOSYL-L-HOMOSELENOCYSTEINE SAM_A_7 3G07 C1_S1 -3.5 - Raw S-ADENOSYLMETHIONINE SAM_A_2 3NDI C1_S1 -3.2 - Raw S-ADENOSYLMETHIONINE

based on 3CCF Atome Sc:71.59 Type: No conserved side chain are recalculated after transfer of ligand

Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information SAM_A_2 3NDI C1_S1 -3.3 - Raw S-ADENOSYLMETHIONINE