Study : T0702
(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: 99
(Click on Model to display complexes with selected ligand(s))
based on
2IZZ
Atome Sc:
97.41
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
NAD_A_5
2I9P
C3_S1
-7.8
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_11
2IZZ
C3_S1
-6.5
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_3
3TRI
C3_S1
-6.2
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_U_21
2AHR
C3_S1
-4.9
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_A_11
2RCY
C3_S1
-4.7
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_2
3B1F
C3_S1
-4.0
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_6
1X7D
C3_S1
-3.0
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
based on
2GER
Atome Sc:
91.98
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
NAP_A_3
3TRI
C3_S1
-5.3
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_5
2I9P
C3_S1
-5.1
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_6
1U7H
C3_S1
-4.9
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_6
1X7D
C3_S1
-4.8
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_11
2IZZ
C3_S1
-4.8
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_5
1JAY
C3_S1
-3.9
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_2
3B1F
C3_S1
-3.6
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_U_21
2AHR
C3_S1
-3.5
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
based on
2GRA
Atome Sc:
92.32
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
NAD_A_5
2I9P
C3_S1
-5.4
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_11
2IZZ
C3_S1
-4.6
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_3
3TRI
C3_S1
-4.4
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_U_21
2AHR
C3_S1
-3.3
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
based on
2GR9
Atome Sc:
92.37
Type:
No conserved side chain are recalculated after transfer of ligand
Ligand
Origin
Active Site
pKd (Avg)
Cofactor
Transfer
Information
NAD_A_5
2I9P
C3_S1
-5.6
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_3
3TRI
C3_S1
-4.7
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_11
2IZZ
C3_S1
-3.8
-
Raw
NICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_U_21
2AHR
C3_S1
-3.6
-
Raw
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE