Study : T0737
(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: 100
(Click on Model to display complexes with selected ligand(s))
based on
3GWN
Atome Sc:
92.64
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
3GWN
C4_S1
-11.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_O_15
2HJ3
C4_S1
-10.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3R7C
C4_S1
-10.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3O55
C4_S1
-10.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWL
C4_S1
-9.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3MBG
C4_S1
-9.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1OQC
C4_S1
-9.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_D_4
1JR8
C4_S1
-9.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_F_6
1JRA
C4_S1
-8.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3P0K
C4_S1
-7.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3LLK
C4_S1
-5.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
3GWL
Atome Sc:
73.63
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_O_15
2HJ3
C4_S1
-9.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_D_4
1JR8
C4_S1
-9.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWL
C4_S1
-9.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_F_6
1JRA
C4_S1
-9.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWN
C4_S1
-9.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3P0K
C4_S1
-8.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1OQC
C4_S1
-7.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3MBG
C4_S1
-7.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3R7C
C4_S1
-7.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3O55
C4_S1
-6.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3LLK
C4_S1
-6.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
2HJ3
Atome Sc:
71.87
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_O_15
2HJ3
C4_S1
-9.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWN
C4_S1
-8.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_D_4
1JR8
C4_S1
-8.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_F_6
1JRA
C4_S1
-7.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWL
C4_S1
-7.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3MBG
C4_S1
-6.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3O55
C4_S1
-5.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3R7C
C4_S1
-5.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1OQC
C4_S1
-4.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3LLK
C4_S1
-4.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
1JR8
Atome Sc:
72.72
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_D_4
1JR8
C4_S1
-7.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_F_6
1JRA
C4_S1
-7.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWN
C4_S1
-6.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_O_15
2HJ3
C4_S1
-6.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3LLK
C4_S1
-6.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3MBG
C4_S1
-6.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWL
C4_S1
-5.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1OQC
C4_S1
-5.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3O55
C4_S1
-5.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3R7C
C4_S1
-5.2
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3P0K
C4_S1
-4.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
1OQC
Atome Sc:
73.44
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_D_4
1JR8
C4_S1
-6.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3LLK
C4_S1
-6.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWL
C4_S1
-6.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_O_15
2HJ3
C4_S1
-6.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_F_6
1JRA
C4_S1
-5.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3GWN
C4_S1
-5.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
1OQC
C4_S1
-5.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_5
3R7C
C4_S1
-5.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_4
3MBG
C4_S1
-4.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
3P0K
C4_S1
-4.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
3O55
C4_S1
-3.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE