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
SAH_A_10
3G5T
C2_S1
-3.2
-
Raw
S-ADENOSYL-L-HOMOCYSTEINE
SAM_A_3
2YQZ
C2_S1
-3.2
-
Raw
S-ADENOSYLMETHIONINE
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