Study : T0684
(jlpons@cbs.cnrs.fr)
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: 44
(Click on Model to display complexes with selected ligand(s))
based on
1W87
Atome Sc:
62.94
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
1E63
C3_S1
-4.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QGY
C3_S1
-4.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
1QUF
C3_S1
-4.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QH0
C3_S1
-3.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2X3U
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W87
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2BSA
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W35
C3_S1
-3.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W34
C3_S1
-3.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
2BSA
Atome Sc:
65.89
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_A_3
1W87
C3_S1
-3.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2X3U
C3_S1
-3.9
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
1QUF
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QH0
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2BSA
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1E63
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W35
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QGY
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W34
C3_S1
-3.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
1QUF
Atome Sc:
64.23
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_C_3
1QH0
C3_S1
-3.8
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QGY
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2X3U
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_B_2
1QUF
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1E63
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W87
C3_S1
-3.7
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2BSA
C3_S1
-3.5
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W35
C3_S1
-3.4
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1W34
C3_S1
-3.3
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
based on
1QGY
Atome Sc:
62.94
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
FAD_C_3
1QGY
C3_S1
-3.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_C_3
1QH0
C3_S1
-3.6
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2BSA
C3_S1
-3.1
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_3
1E63
C3_S1
-3.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE
FAD_A_2
2X3U
C3_S1
-3.0
-
Raw
FLAVIN-ADENINE DINUCLEOTIDE