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:97.41Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
NAD_A_52I9PC3_S1-7.8-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_112IZZC3_S1-6.5-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_33TRIC3_S1-6.2-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_U_212AHRC3_S1-4.9-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_A_112RCYC3_S1-4.7-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_23B1FC3_S1-4.0-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_61X7DC3_S1-3.0-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE

based on 2GER Atome Sc:91.98Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
NAP_A_33TRIC3_S1-5.3-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_52I9PC3_S1-5.1-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_61U7HC3_S1-4.9-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_F_61X7DC3_S1-4.8-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_112IZZC3_S1-4.8-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_51JAYC3_S1-3.9-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_23B1FC3_S1-3.6-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_U_212AHRC3_S1-3.5-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

based on 2GRA Atome Sc:92.32Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
NAD_A_52I9PC3_S1-5.4-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAD_A_112IZZC3_S1-4.6-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_33TRIC3_S1-4.4-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAP_U_212AHRC3_S1-3.3-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

based on 2GR9 Atome Sc:92.37Type: No conserved side chain are recalculated after transfer of ligand
Ligand Origin Active Site pKd (Avg) Cofactor Transfer Information
NAD_A_52I9PC3_S1-5.6-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_A_33TRIC3_S1-4.7-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
NAD_A_112IZZC3_S1-3.8-RawNICOTINAMIDE-ADENINE-DINUCLEOTIDE
NAP_U_212AHRC3_S1-3.6-RawNADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE