Study : T0721
(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: 150
(Click on Model to display complexes with selected ligand(s))
based on
2Q0L
Atome Sc:
91.50
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
2Q0L
C2_S1
-10.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3F8D
C2_S1
-9.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q0K
C2_S1
-8.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1CL0
C2_S1
-8.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1TDE
C2_S1
-8.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3ISH
C2_S1
-8.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3FBS
C2_S1
-7.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
2CVJ
C2_S1
-7.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2YWL
C2_S1
-7.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q7V
C2_S1
-7.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3ITJ
C2_S1
-6.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_E_5
2A87
C2_S1
-6.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3D8X
C2_S1
-6.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAP_A_6
3F8R
C2_S1
-6.2
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_5
3F8P
C2_S1
-6.2
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_2
3LZW
C2_S1
-6.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
2ZBW
C2_S1
-5.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3AB1
C2_S1
-4.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_G_7
1FL2
C2_S1
-3.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1D7Y
C2_S1
-3.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
3FBS
Atome Sc:
96.26
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
3FBS
C2_S1
-10.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1CL0
C2_S1
-9.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_G_7
1FL2
C2_S1
-8.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3AB1
C2_S1
-8.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q0L
C2_S1
-8.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_I_9
1HYU
C2_S1
-8.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1TDE
C2_S1
-8.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3ISH
C2_S1
-8.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3LZW
C2_S1
-7.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3F8D
C2_S1
-7.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q0K
C2_S1
-7.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3O0H
C2_S1
-5.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1MO9
C2_S1
-4.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAD_A_5
3F8P
C2_S1
-4.3
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_3
2Q7V
C2_S1
-3.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1XDI
C2_S1
-3.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
3QFA
Atome Sc:
85.91
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
3CTY
C2_S1
-8.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1D7Y
C2_S1
-7.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
1M6I
C2_S1
-7.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q0L
C2_S1
-7.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3QFA
C2_S1
-6.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1GES
C2_S1
-6.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_I_9
1ZK7
C2_S1
-5.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAD_A_5
3F8P
C2_S1
-5.9
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_5
1XDI
C2_S1
-5.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3O0H
C2_S1
-5.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
2Q0K
C2_S1
-4.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1MO9
C2_S1
-4.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAP_A_6
3F8R
C2_S1
-3.9
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
FAD_A_3
2YWL
C2_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3R9U
C2_S1
-3.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
3CTY
Atome Sc:
88.83
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_I_9
1ZK7
C2_S1
-6.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
1M6I
C2_S1
-6.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3AB1
C2_S1
-5.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1D7Y
C2_S1
-5.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAD_A_5
3F8P
C2_S1
-5.0
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
FAD_A_5
3QFA
C2_S1
-4.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
2ZBW
C2_S1
-4.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3LZW
C2_S1
-4.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1XDI
C2_S1
-4.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1MO9
C2_S1
-4.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1GES
C2_S1
-4.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
2CVJ
C2_S1
-4.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3CTY
C2_S1
-3.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3O0H
C2_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
NAP_A_6
3F8R
C2_S1
-3.7
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
FAD_A_3
2YWL
C2_S1
-3.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
3F8D
Atome Sc:
90.43
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_5
3F8D
C2_S1
-4.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1TDE
C2_S1
-3.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3ISH
C2_S1
-3.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1CL0
C2_S1
-3.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE